5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one

C8H11NO2 — CID 2751318

IUPAC5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(=O)C1=CNC(=O)CC1C
InChIInChI=1S/C8H11NO2/c1-5-3-8(11)9-4-7(5)6(2)10/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeyKQNFWPZPMIRQPE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.62
Rot. Bonds1

About 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one

5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 2751318) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID2751318
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one
SMILESCC(=O)C1=CNC(=O)CC1C
InChIInChI=1S/C8H11NO2/c1-5-3-8(11)9-4-7(5)6(2)10/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeyKQNFWPZPMIRQPE-UHFFFAOYSA-N
XLogP0.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one (CID 2751318) is 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one is CC(=O)C1=CNC(=O)CC1C.
What is the InChIKey of 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is KQNFWPZPMIRQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-8(11)9-4-7(5)6(2)10/h4-5H,3H2,1-2H3,(H,9,11).
What are the key properties of 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one?
5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 2751318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).