3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one

C13H14N2O2 — CID 55158414

IUPAC3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one
SMILESCc1cccn(CC(=O)c2cccn2C)c1=O
InChIInChI=1S/C13H14N2O2/c1-10-5-3-8-15(13(10)17)9-12(16)11-6-4-7-14(11)2/h3-8H,9H2,1-2H3
InChIKeyVDLHPYOBQBESOT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.38
Rot. Bonds3

About 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one

3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 55158414) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one
PubChem CID55158414
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one
SMILESCc1cccn(CC(=O)c2cccn2C)c1=O
InChIInChI=1S/C13H14N2O2/c1-10-5-3-8-15(13(10)17)9-12(16)11-6-4-7-14(11)2/h3-8H,9H2,1-2H3
InChIKeyVDLHPYOBQBESOT-UHFFFAOYSA-N
XLogP1.38
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one (CID 55158414) is 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one is Cc1cccn(CC(=O)c2cccn2C)c1=O.
What is the InChIKey of 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is VDLHPYOBQBESOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-5-3-8-15(13(10)17)9-12(16)11-6-4-7-14(11)2/h3-8H,9H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one?
3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 55158414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).