Chemical identity

(S)-1-Nitrosopiperidin-3-ol

CAS 2380680-64-6 · C5H10N2O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-21952
PubChem CID172967732
Name(S)-1-Nitrosopiperidin-3-ol
CAS RN2380680-64-6
Molecular formulaC5H10N2O2
Molecular weight130.1 g/mol
IUPAC name(S)-1-Nitrosopiperidin-3-ol
InChIKeyQCVPQZJTIBYSOX-YFKPBYRVSA-N

02Structure identifiers

2D structurePubChem CID 172967732
2D structure: (S)-1-Nitrosopiperidin-3-ol, CAS 2380680-64-6
Structure of (S)-1-Nitrosopiperidin-3-ol (CAS 2380680-64-6). LazyChem record. Source identity: PubChem CID 172967732. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC5H10N2O2
InChIKeyQCVPQZJTIBYSOX-YFKPBYRVSA-N
Ring count1
Defined stereocentres1
Unassigned stereocentres0
SMILESC1C[C@@H](CN(C1)N=O)O
InChIInChI=1S/C5H10N2O2/c8-5-2-1-3-7(4-5)6-9/h5,8H,1-4H2/t5-/m0/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2380680-64-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 2380680-64-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ibrutinib

View API and impurity family

Other names

  • N-Nitroso Ibrutinib Impurity 1

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources