Norcotinine

C9H10N2O — CID 413

IUPAC5-pyridin-3-ylpyrrolidin-2-one
SMILESC1CC(=O)NC1C2=CN=CC=C2
InChIInChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
InChIKeyFXFANIORDKRCCA-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.10
Rot. Bonds1

About Norcotinine

Norcotinine (PubChem CID 413) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound NameNorcotinine
PubChem CID413
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-pyridin-3-ylpyrrolidin-2-one
SMILESC1CC(=O)NC1C2=CN=CC=C2
InChIInChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
InChIKeyFXFANIORDKRCCA-UHFFFAOYSA-N
XLogP0.10
TPSA42.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity181

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cotinine
CID 854019
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Cotinine
CID 408
Ximelegatran
CID 448042
Mono-N-dealkyldisopyramide
CID 107858
(R)-Nornicotine
CID 93047
cotinine N-oxide
CID 9815514
N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide
CID 56969824
C3A receptor agonist
CID 44430519
N-Methyl-gamma-oxo-3-pyridinebutanamide
CID 436
R-(+)-Cotinine
CID 21907

Frequently Asked Questions

What is the IUPAC name of Norcotinine?
The IUPAC name of Norcotinine (CID 413) is 5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for Norcotinine?
The canonical SMILES for Norcotinine is C1CC(=O)NC1C2=CN=CC=C2.
What is the InChIKey of Norcotinine?
The InChIKey is FXFANIORDKRCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12).
What are the key properties of Norcotinine?
Norcotinine has a molecular weight of 162.19 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Norcotinine is sourced from PubChem (CID 413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).