3-butanoyl-1H-pyridin-4-one

C9H11NO2 — CID 146171330

IUPAC3-butanoyl-1H-pyridin-4-one
SMILESCCCC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C9H11NO2/c1-2-3-8(11)7-6-10-5-4-9(7)12/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyXDAPSYIPGBJOIF-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.36
Rot. Bonds3

About 3-butanoyl-1H-pyridin-4-one

3-butanoyl-1H-pyridin-4-one (PubChem CID 146171330) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-butanoyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-butanoyl-1H-pyridin-4-one
PubChem CID146171330
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-butanoyl-1H-pyridin-4-one
SMILESCCCC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C9H11NO2/c1-2-3-8(11)7-6-10-5-4-9(7)12/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyXDAPSYIPGBJOIF-UHFFFAOYSA-N
XLogP1.36
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butanoyl-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

Related Compounds

1-(4-Hydroxypyridin-3-yl)ethan-1-one
CID 12793030
3-Ethylpyridin-4-OL
CID 15534895
1,1'-(1,4-Dihydropyridine-3,5-diyl)di(ethan-1-one)
CID 14398957
[3,3'-Bipyridine]-4,4'-diol
CID 363600
1-(1,4-Dihydropyridin-3-yl)ethanone
CID 139699882
3-acetyl-2-amino-1H-pyridin-4-one
CID 1240706
2-Methylaminomethylenecyclohexanone
CID 76175077
4-(4-oxo-1H-pyridin-3-yl)butanal
CID 90721491
4-Hydroxy-3-pyridylpropylketon
CID 129646694
3,5-Diacetyl-1,4-dihydropyridine monohydrate
CID 129781269
2,2-dimethyl-N-[(Z)-3-oxooct-1-enyl]propanamide
CID 134967376
1-Methylamino-1-nonen-3-one
CID 156587586

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-1H-pyridin-4-one?
The IUPAC name of 3-butanoyl-1H-pyridin-4-one (CID 146171330) is 3-butanoyl-1H-pyridin-4-one.
What is the SMILES notation for 3-butanoyl-1H-pyridin-4-one?
The canonical SMILES for 3-butanoyl-1H-pyridin-4-one is CCCC(=O)c1c[nH]ccc1=O.
What is the InChIKey of 3-butanoyl-1H-pyridin-4-one?
The InChIKey is XDAPSYIPGBJOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-3-8(11)7-6-10-5-4-9(7)12/h4-6H,2-3H2,1H3,(H,10,12).
What are the key properties of 3-butanoyl-1H-pyridin-4-one?
3-butanoyl-1H-pyridin-4-one has a molecular weight of 165.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-1H-pyridin-4-one is sourced from PubChem (CID 146171330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).