N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide

C5H8N2O2 — CID 135052314

IUPACN-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide
SMILESCC(=O)/C(=C/N)NC=O
InChIInChI=1S/C5H8N2O2/c1-4(9)5(2-6)7-3-8/h2-3H,6H2,1H3,(H,7,8)/b5-2-
InChIKeyWDLOXSBJVZOHOQ-DJWKRKHSSA-N
MW128.13 g/mol
LogP-0.88
Rot. Bonds3

About N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide

N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide (PubChem CID 135052314) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide
PubChem CID135052314
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide
SMILESCC(=O)/C(=C/N)NC=O
InChIInChI=1S/C5H8N2O2/c1-4(9)5(2-6)7-3-8/h2-3H,6H2,1H3,(H,7,8)/b5-2-
InChIKeyWDLOXSBJVZOHOQ-DJWKRKHSSA-N
XLogP-0.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-oxobut-1-en-2-yl]formamide 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-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide
CID 55288608
N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide
CID 13483380
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]-N-methylacetamide
CID 134891441
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]propanamide
CID 135052184
1-(1,4-Dihydropyrazin-2-yl)ethanone
CID 53350347
4-(Dimethylamino)-3-(methylamino)but-3-en-2-one
CID 535693
3-Buten-2-one, 4-(dimethylamino)-3-(methylamino)-
CID 5362980
Acetamide, N-(2-dimethylamino-3-oxo-1-butenyl)-
CID 5363162
Acetamide, N-(1-dimethylaminomethylene-2-oxopropyl)-
CID 5374217
N-[(E)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide
CID 133668669
(E)-4-(dimethylamino)-3-(methylamino)but-3-en-2-one
CID 177484186
N-(4-oxo-1H-pyridin-3-yl)formamide
CID 17990900

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide?
The IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide (CID 135052314) is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide.
What is the SMILES notation for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide?
The canonical SMILES for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide is CC(=O)/C(=C/N)NC=O.
What is the InChIKey of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide?
The InChIKey is WDLOXSBJVZOHOQ-DJWKRKHSSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-4(9)5(2-6)7-3-8/h2-3H,6H2,1H3,(H,7,8)/b5-2-.
What are the key properties of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide?
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide has a molecular weight of 128.13 g/mol, XLogP of -0.88, 3 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-oxobut-1-en-2-yl]formamide is sourced from PubChem (CID 135052314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).