5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one

C10H13N2O+ — CID 91820593

IUPAC5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one
SMILESC[NH+]1CCC=C1c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/p+1
InChIKeyLWGKCPAYDQWMMS-UHFFFAOYSA-O
MW177.23 g/mol
LogP-0.37
Rot. Bonds1

About 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one

5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one (PubChem CID 91820593) has the molecular formula C10H13N2O+ and a molecular weight of 177.23 g/mol. Its IUPAC name is 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one
PubChem CID91820593
Molecular FormulaC10H13N2O+
Molecular Weight177.23 g/mol
Exact Mass177.10
IUPAC Name5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one
SMILESC[NH+]1CCC=C1c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/p+1
InChIKeyLWGKCPAYDQWMMS-UHFFFAOYSA-O
XLogP-0.37
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol
CID 439886
6-Hydroxynicotine
CID 249885
6-hydroxy-N-methylmyosmine
CID 52944012
(S)-6-Hydroxynicotine
CID 439383
5-(Aminomethyl)pyridin-2(1H)-one
CID 14846981
4-Amino-5-methylpyridin-2(1H)-one
CID 13295732
5-Amino-4-methylpyridin-2-ol
CID 29919415
4-(1-Aminoethyl)pyridin-2-ol
CID 55293469
(S)-6-hydroxynicotinium(1+)
CID 6955053
(R)-6-hydroxynicotinium
CID 11860612
5-Dimethylaminomethyl-1H-pyridin-2-one
CID 14846982
5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
CID 135308034

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one (CID 91820593) is 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one is C[NH+]1CCC=C1c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one?
The InChIKey is LWGKCPAYDQWMMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/p+1.
What are the key properties of 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one?
5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one has a molecular weight of 177.23 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2,3-dihydro-1H-pyrrol-1-ium-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 91820593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).