N-oxobutanamide

C4H7NO2 — CID 87293137

IUPACN-oxobutanamide
SMILESCCCC(=O)N=O
InChIInChI=1S/C4H7NO2/c1-2-3-4(6)5-7/h2-3H2,1H3
InChIKeyMTZAEAOFEVAEMX-UHFFFAOYSA-N
MW101.11 g/mol
LogP1.08
Rot. Bonds2

About N-oxobutanamide

N-oxobutanamide (PubChem CID 87293137) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is N-oxobutanamide.

Molecular Properties

Compound NameN-oxobutanamide
PubChem CID87293137
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC NameN-oxobutanamide
SMILESCCCC(=O)N=O
InChIInChI=1S/C4H7NO2/c1-2-3-4(6)5-7/h2-3H2,1H3
InChIKeyMTZAEAOFEVAEMX-UHFFFAOYSA-N
XLogP1.08
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-oxobutanamide 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

N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486
N-methyliminobutanamide
CID 141214785
N,5-dioxohexanamide
CID 146976894
N,N',2-trioxopentanediamide
CID 88556785
8-bromo-N-oxooctanamide
CID 118895802
(3S)-3-methyl-N-oxopentanamide
CID 174497955
(Z)-6-ethoxy-N,4-dioxohept-5-enamide
CID 126591471
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
butanoic acid;mercury
CID 87059277
butanoic acid;zirconium
CID 87090666

Frequently Asked Questions

What is the IUPAC name of N-oxobutanamide?
The IUPAC name of N-oxobutanamide (CID 87293137) is N-oxobutanamide.
What is the SMILES notation for N-oxobutanamide?
The canonical SMILES for N-oxobutanamide is CCCC(=O)N=O.
What is the InChIKey of N-oxobutanamide?
The InChIKey is MTZAEAOFEVAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-2-3-4(6)5-7/h2-3H2,1H3.
What are the key properties of N-oxobutanamide?
N-oxobutanamide has a molecular weight of 101.11 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxobutanamide is sourced from PubChem (CID 87293137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).