N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide

C5H8N2O2 — CID 55289772

IUPACN-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(C=O)=C\N
InChIInChI=1S/C5H8N2O2/c1-4(9)7-5(2-6)3-8/h2-3H,6H2,1H3,(H,7,9)/b5-2-
InChIKeyGQAPSOYQUOZZOD-DJWKRKHSSA-N
MW128.13 g/mol
LogP-0.88
Rot. Bonds2

About N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide

N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide (PubChem CID 55289772) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide
PubChem CID55289772
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(C=O)=C\N
InChIInChI=1S/C5H8N2O2/c1-4(9)7-5(2-6)3-8/h2-3H,6H2,1H3,(H,7,9)/b5-2-
InChIKeyGQAPSOYQUOZZOD-DJWKRKHSSA-N
XLogP-0.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide 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 N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide (CID 55289772) is N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide is CC(=O)N/C(C=O)=C\N.
What is the InChIKey of N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide?
The InChIKey is GQAPSOYQUOZZOD-DJWKRKHSSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-4(9)7-5(2-6)3-8/h2-3H,6H2,1H3,(H,7,9)/b5-2-.
What are the key properties of N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide?
N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide has a molecular weight of 128.13 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide is sourced from PubChem (CID 55289772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).