1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one

C11H12N2O — CID 158198030

IUPAC1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one
SMILESCc1cc(C2=NC=CC2)cn(C)c1=O
InChIInChI=1S/C11H12N2O/c1-8-6-9(7-13(2)11(8)14)10-4-3-5-12-10/h3,5-7H,4H2,1-2H3
InChIKeyGAORPWOHOXUZSI-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.40
Rot. Bonds1

About 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one

1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one (PubChem CID 158198030) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one
PubChem CID158198030
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one
SMILESCc1cc(C2=NC=CC2)cn(C)c1=O
InChIInChI=1S/C11H12N2O/c1-8-6-9(7-13(2)11(8)14)10-4-3-5-12-10/h3,5-7H,4H2,1-2H3
InChIKeyGAORPWOHOXUZSI-UHFFFAOYSA-N
XLogP1.40
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[N-methyl-C-[(Z)-2-methylbut-1-enyl]carbonimidoyl]-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one (CID 158198030) is 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one is Cc1cc(C2=NC=CC2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one?
The InChIKey is GAORPWOHOXUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-6-9(7-13(2)11(8)14)10-4-3-5-12-10/h3,5-7H,4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one?
1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one is sourced from PubChem (CID 158198030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).