Identitate

Cotinine

Nu este indicat · C10H12N2O

01Identitate

Lazychem IDLC-50224
CAS RNNu este indicat
PubChem CID854019
Molecular formulaC10H12N2O
Molecular weight176.21 g/mol
IUPAC name(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
InChIKeyUIKROCXWUNQSPJ-VIFPVBQESA-N

02Structură și stereochimie

2D structurePubChem CID 854019
Two-dimensional chemical structure of Cotinine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
SMILESCN1[C@@H](CCC1=O)C2=CN=CC=C2
InChINu este indicat

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04Statut în India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Denumiri și relații

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