(5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one

C9H11N2O+ — CID 119081247

IUPAC(5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one
SMILESO=C1C=C/C(=C2\CCC[NH2+]2)C=N1
InChIInChI=1S/C9H10N2O/c12-9-4-3-7(6-11-9)8-2-1-5-10-8/h3-4,6,10H,1-2,5H2/p+1/b8-7-
InChIKeyVIDJUGVFPQTKSO-FPLPWBNLSA-O
MW163.20 g/mol
LogP-0.24
Rot. Bonds

About (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one

(5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one (PubChem CID 119081247) has the molecular formula C9H11N2O+ and a molecular weight of 163.20 g/mol. Its IUPAC name is (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one.

Molecular Properties

Compound Name(5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one
PubChem CID119081247
Molecular FormulaC9H11N2O+
Molecular Weight163.20 g/mol
Exact Mass163.09
IUPAC Name(5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one
SMILESO=C1C=C/C(=C2\CCC[NH2+]2)C=N1
InChIInChI=1S/C9H10N2O/c12-9-4-3-7(6-11-9)8-2-1-5-10-8/h3-4,6,10H,1-2,5H2/p+1/b8-7-
InChIKeyVIDJUGVFPQTKSO-FPLPWBNLSA-O
XLogP-0.24
TPSA46.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one
CID 119081245
(5Z)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 119081246
6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one
CID 146238660
2-(1,2,3,6-Tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one
CID 154448813
CP93129 dihydrochloride; CP-93129 dihydrochloride
CID 44483250
5-(1-Methylpyrrolidin-2-ylidene)pyridin-2-one
CID 73129729
3-methylidene-4H-pyrrolo[3,2-b]pyridin-5-one
CID 76026585
(5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 129408327

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one?
The IUPAC name of (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one (CID 119081247) is (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one.
What is the SMILES notation for (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one?
The canonical SMILES for (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one is O=C1C=C/C(=C2\CCC[NH2+]2)C=N1.
What is the InChIKey of (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one?
The InChIKey is VIDJUGVFPQTKSO-FPLPWBNLSA-O. The full InChI is InChI=1S/C9H10N2O/c12-9-4-3-7(6-11-9)8-2-1-5-10-8/h3-4,6,10H,1-2,5H2/p+1/b8-7-.
What are the key properties of (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one?
(5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one has a molecular weight of 163.20 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-pyrrolidin-1-ium-2-ylidenepyridin-2-one is sourced from PubChem (CID 119081247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).