6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one

C8H11NO3 — CID 15847402

IUPAC6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one
SMILESCC(=O)C1=CC(=O)CC(CO)N1
InChIInChI=1S/C8H11NO3/c1-5(11)8-3-7(12)2-6(4-10)9-8/h3,6,9-10H,2,4H2,1H3
InChIKeySIWHSHNFBDSUFB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.62
Rot. Bonds2

About 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one

6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one (PubChem CID 15847402) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one
PubChem CID15847402
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one
SMILESCC(=O)C1=CC(=O)CC(CO)N1
InChIInChI=1S/C8H11NO3/c1-5(11)8-3-7(12)2-6(4-10)9-8/h3,6,9-10H,2,4H2,1H3
InChIKeySIWHSHNFBDSUFB-UHFFFAOYSA-N
XLogP-0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one (CID 15847402) is 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one is CC(=O)C1=CC(=O)CC(CO)N1.
What is the InChIKey of 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is SIWHSHNFBDSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(11)8-3-7(12)2-6(4-10)9-8/h3,6,9-10H,2,4H2,1H3.
What are the key properties of 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one?
6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 169.18 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(hydroxymethyl)-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 15847402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).