(3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one

C10H12N2O — CID 76845234

IUPAC(3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
SMILESCN1CCC/C1=C1\C=CC=NC1=O
InChIInChI=1S/C10H12N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2,4,6H,3,5,7H2,1H3/b9-8-
InChIKeyWBZPEFQFGAUAAK-HJWRWDBZSA-N
MW176.22 g/mol
LogP1.13
Rot. Bonds

About (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one

(3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one (PubChem CID 76845234) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one.

Molecular Properties

Compound Name(3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
PubChem CID76845234
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
SMILESCN1CCC/C1=C1\C=CC=NC1=O
InChIInChI=1S/C10H12N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2,4,6H,3,5,7H2,1H3/b9-8-
InChIKeyWBZPEFQFGAUAAK-HJWRWDBZSA-N
XLogP1.13
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 119081246
6,8-Dimethyl-1,6-naphthyridin-7-one
CID 59283979
3-(Oxomethylidene)-5-pyrrolidin-1-ylpyridin-2-one
CID 88233252
5-(1-Methylpyrrolidin-2-ylidene)pyridin-2-one
CID 73129729
(5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 129408327
5-Ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
CID 145394194

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one?
The IUPAC name of (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one (CID 76845234) is (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one.
What is the SMILES notation for (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one?
The canonical SMILES for (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one is CN1CCC/C1=C1\C=CC=NC1=O.
What is the InChIKey of (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one?
The InChIKey is WBZPEFQFGAUAAK-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2,4,6H,3,5,7H2,1H3/b9-8-.
What are the key properties of (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one?
(3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one is sourced from PubChem (CID 76845234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).