N-imino-4-oxopentanamide

C5H8N2O2 — CID 59086798

IUPACN-imino-4-oxopentanamide
SMILES[H]/N=N/C(=O)CCC(C)=O
InChIInChI=1S/C5H8N2O2/c1-4(8)2-3-5(9)7-6/h6H,2-3H2,1H3/b7-6+
InChIKeyYYOHOMXUUKHHAU-VOTSOKGWSA-N
MW128.13 g/mol
LogP0.91
Rot. Bonds3

About N-imino-4-oxopentanamide

N-imino-4-oxopentanamide (PubChem CID 59086798) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-imino-4-oxopentanamide.

Molecular Properties

Compound NameN-imino-4-oxopentanamide
PubChem CID59086798
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-imino-4-oxopentanamide
SMILES[H]/N=N/C(=O)CCC(C)=O
InChIInChI=1S/C5H8N2O2/c1-4(8)2-3-5(9)7-6/h6H,2-3H2,1H3/b7-6+
InChIKeyYYOHOMXUUKHHAU-VOTSOKGWSA-N
XLogP0.91
TPSA70.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-imino-4-oxopentanamide 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-imino-4,4-dimethylpentanamide
CID 118964364
hexane-2,5-dione
CID 8035
N,4-dioxopentanamide
CID 87531074
2,5-dioxohexanal
CID 118437747
2-[(dimethylamino)methyl]-N,N'-diiminobutanediamide
CID 175431476
4-oxopentanoic acid;zinc
CID 87190982
hexane-2,5-di(18O)one
CID 90798062
CID 59102011
CID 59102011
N-(5-oxohexan-2-ylidene)formamide
CID 129015629
N,5-dioxohexanamide
CID 146976894
4-oxopentanamide;zirconium
CID 174464202
4-oxopentanamide;titanium
CID 174475766

Frequently Asked Questions

What is the IUPAC name of N-imino-4-oxopentanamide?
The IUPAC name of N-imino-4-oxopentanamide (CID 59086798) is N-imino-4-oxopentanamide.
What is the SMILES notation for N-imino-4-oxopentanamide?
The canonical SMILES for N-imino-4-oxopentanamide is [H]/N=N/C(=O)CCC(C)=O.
What is the InChIKey of N-imino-4-oxopentanamide?
The InChIKey is YYOHOMXUUKHHAU-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-4(8)2-3-5(9)7-6/h6H,2-3H2,1H3/b7-6+.
What are the key properties of N-imino-4-oxopentanamide?
N-imino-4-oxopentanamide has a molecular weight of 128.13 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-4-oxopentanamide is sourced from PubChem (CID 59086798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).