2-formamidobut-3-enamide

C5H8N2O2 — CID 87210952

IUPAC2-formamidobut-3-enamide
SMILESC=CC(NC=O)C(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-4(5(6)9)7-3-8/h2-4H,1H2,(H2,6,9)(H,7,8)
InChIKeyMRZANMVUSAZQDO-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.23
Rot. Bonds4

About 2-formamidobut-3-enamide

2-formamidobut-3-enamide (PubChem CID 87210952) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-formamidobut-3-enamide.

Molecular Properties

Compound Name2-formamidobut-3-enamide
PubChem CID87210952
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2-formamidobut-3-enamide
SMILESC=CC(NC=O)C(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-4(5(6)9)7-3-8/h2-4H,1H2,(H2,6,9)(H,7,8)
InChIKeyMRZANMVUSAZQDO-UHFFFAOYSA-N
XLogP-1.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-formamidobut-3-enamide 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

2-formamidopropanediamide
CID 4202843
2-formamidobutanamide
CID 55291106
methyl (2R)-2-formamidopropanoate
CID 11651157
2-(1-carboxyprop-2-enylamino)but-3-enoic acid
CID 66821518
(3R)-4-amino-3-formamido-4-oxo-2-sulfanylbutanoic acid
CID 171904445
2-propan-2-ylbut-3-enamide
CID 147296462
2-(but-3-en-2-ylamino)-2-methylpropanamide
CID 107906717
acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane
CID 143839925
N-hexa-1,5-dien-3-ylformamide
CID 90777860
(2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid
CID 89064359
(E,2S)-2-formamido-7-sulfanylhept-4-enamide
CID 89101566
2-(2-formamidopentanoylamino)-4-methylpentanamide
CID 130441873

Frequently Asked Questions

What is the IUPAC name of 2-formamidobut-3-enamide?
The IUPAC name of 2-formamidobut-3-enamide (CID 87210952) is 2-formamidobut-3-enamide.
What is the SMILES notation for 2-formamidobut-3-enamide?
The canonical SMILES for 2-formamidobut-3-enamide is C=CC(NC=O)C(N)=O.
What is the InChIKey of 2-formamidobut-3-enamide?
The InChIKey is MRZANMVUSAZQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-4(5(6)9)7-3-8/h2-4H,1H2,(H2,6,9)(H,7,8).
What are the key properties of 2-formamidobut-3-enamide?
2-formamidobut-3-enamide has a molecular weight of 128.13 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidobut-3-enamide is sourced from PubChem (CID 87210952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).