(5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one

C10H13N2O+ — CID 119081245

IUPAC(5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one
SMILESC[NH+]1CCC/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/p+1/b9-8-
InChIKeyOPKBIPWQEOKATF-HJWRWDBZSA-O
MW177.23 g/mol
LogP-0.28
Rot. Bonds

About (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one

(5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one (PubChem CID 119081245) has the molecular formula C10H13N2O+ and a molecular weight of 177.23 g/mol. Its IUPAC name is (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one.

Molecular Properties

Compound Name(5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one
PubChem CID119081245
Molecular FormulaC10H13N2O+
Molecular Weight177.23 g/mol
Exact Mass177.10
IUPAC Name(5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one
SMILESC[NH+]1CCC/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/p+1/b9-8-
InChIKeyOPKBIPWQEOKATF-HJWRWDBZSA-O
XLogP-0.28
TPSA33.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one?
The IUPAC name of (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one (CID 119081245) is (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one.
What is the SMILES notation for (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one?
The canonical SMILES for (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one is C[NH+]1CCC/C1=C1\C=CC(=O)N=C1.
What is the InChIKey of (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one?
The InChIKey is OPKBIPWQEOKATF-HJWRWDBZSA-O. 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/p+1/b9-8-.
What are the key properties of (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one?
(5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one has a molecular weight of 177.23 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one is sourced from PubChem (CID 119081245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).