1-acetyl-2-methyl-2,3-dihydropyridin-4-one

C8H11NO2 — CID 18711297

IUPAC1-acetyl-2-methyl-2,3-dihydropyridin-4-one
SMILESCC(=O)N1C=CC(=O)CC1C
InChIInChI=1S/C8H11NO2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-4,6H,5H2,1-2H3
InChIKeyFDIYDCZYJQTCFC-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds

About 1-acetyl-2-methyl-2,3-dihydropyridin-4-one

1-acetyl-2-methyl-2,3-dihydropyridin-4-one (PubChem CID 18711297) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-acetyl-2-methyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-acetyl-2-methyl-2,3-dihydropyridin-4-one
PubChem CID18711297
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-acetyl-2-methyl-2,3-dihydropyridin-4-one
SMILESCC(=O)N1C=CC(=O)CC1C
InChIInChI=1S/C8H11NO2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-4,6H,5H2,1-2H3
InChIKeyFDIYDCZYJQTCFC-UHFFFAOYSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-acetyl-2-methyl-2,3-dihydropyridin-4-one (CID 18711297) is 1-acetyl-2-methyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-acetyl-2-methyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-acetyl-2-methyl-2,3-dihydropyridin-4-one is CC(=O)N1C=CC(=O)CC1C.
What is the InChIKey of 1-acetyl-2-methyl-2,3-dihydropyridin-4-one?
The InChIKey is FDIYDCZYJQTCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-acetyl-2-methyl-2,3-dihydropyridin-4-one?
1-acetyl-2-methyl-2,3-dihydropyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 18711297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).