1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one

C9H13NO2 — CID 14396546

IUPAC1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one
SMILESCC(=O)CC1C=CN(C)C(=O)C1
InChIInChI=1S/C9H13NO2/c1-7(11)5-8-3-4-10(2)9(12)6-8/h3-4,8H,5-6H2,1-2H3
InChIKeyJHSPGPVYVPEBAK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds2

About 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one

1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one (PubChem CID 14396546) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one
PubChem CID14396546
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one
SMILESCC(=O)CC1C=CN(C)C(=O)C1
InChIInChI=1S/C9H13NO2/c1-7(11)5-8-3-4-10(2)9(12)6-8/h3-4,8H,5-6H2,1-2H3
InChIKeyJHSPGPVYVPEBAK-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one (CID 14396546) is 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one is CC(=O)CC1C=CN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one?
The InChIKey is JHSPGPVYVPEBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(11)5-8-3-4-10(2)9(12)6-8/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one?
1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 14396546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).