3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one

C10H10N2O — CID 10058012

IUPAC3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one
SMILESCn1cccc1-c1ccc[nH]c1=O
InChIInChI=1S/C10H10N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2-7H,1H3,(H,11,13)
InChIKeyKQDQQRCAJQWJGA-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.38
Rot. Bonds1

About 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one

3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one (PubChem CID 10058012) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one
PubChem CID10058012
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one
SMILESCn1cccc1-c1ccc[nH]c1=O
InChIInChI=1S/C10H10N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2-7H,1H3,(H,11,13)
InChIKeyKQDQQRCAJQWJGA-UHFFFAOYSA-N
XLogP1.38
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-fluoro-4-methylphenyl)-1H-pyridin-2-one
CID 53217607
2-(2-methoxyphenyl)-1-methylpyrrole
CID 124706207
3-(1,3-oxazol-4-yl)-1H-pyridin-2-one
CID 118454399
3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one (CID 10058012) is 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one is Cn1cccc1-c1ccc[nH]c1=O.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one?
The InChIKey is KQDQQRCAJQWJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2-7H,1H3,(H,11,13).
What are the key properties of 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one?
3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 10058012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).