(5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one

C10H12N2O — CID 129408327

IUPAC(5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
SMILESCN1CCC/C1=C1/C=CC(=O)N=C1
InChIInChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7H,2-3,6H2,1H3/b9-8+
InChIKeyOPKBIPWQEOKATF-CMDGGOBGSA-N
MW176.22 g/mol
LogP1.13
Rot. Bonds

About (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one

(5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one (PubChem CID 129408327) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one.

Molecular Properties

Compound Name(5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
PubChem CID129408327
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
SMILESCN1CCC/C1=C1/C=CC(=O)N=C1
InChIInChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7H,2-3,6H2,1H3/b9-8+
InChIKeyOPKBIPWQEOKATF-CMDGGOBGSA-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

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Related Compounds

(S)-6-hydroxynornicotine
CID 119081247
(5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one
CID 119081245
(5Z)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 119081246
1,6-Dimethyl-5-(methyliminomethyl)pyridin-2-one
CID 123207508
5-(1-Methylpyrrolidin-2-ylidene)pyridin-2-one
CID 73129729
(3Z)-3-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 76845234
8-Methylidene-7-pyrrolidin-1-ylquinolin-2-one
CID 76851640

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one?
The IUPAC name of (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one (CID 129408327) is (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one.
What is the SMILES notation for (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one?
The canonical SMILES for (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one is CN1CCC/C1=C1/C=CC(=O)N=C1.
What is the InChIKey of (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one?
The InChIKey is OPKBIPWQEOKATF-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7H,2-3,6H2,1H3/b9-8+.
What are the key properties of (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one?
(5E)-5-(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 (5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one is sourced from PubChem (CID 129408327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).