5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one

C10H12N2O — CID 52944012

IUPAC5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one
SMILESCN1CCC=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)
InChIKeyLWGKCPAYDQWMMS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.05
Rot. Bonds1

About 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one

5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one (PubChem CID 52944012) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one
PubChem CID52944012
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one
SMILESCN1CCC=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)
InChIKeyLWGKCPAYDQWMMS-UHFFFAOYSA-N
XLogP1.05
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one (CID 52944012) is 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one is CN1CCC=C1c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one?
The InChIKey is LWGKCPAYDQWMMS-UHFFFAOYSA-N. 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).
What are the key properties of 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one?
5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 52944012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).