(E)-but-2-enamide

C4H7NO — CID 5354487

IUPAC(E)-but-2-enamide
SMILESC/C=C/C(N)=O
InChIInChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+
InChIKeyNQQRXZOPZBKCNF-NSCUHMNNSA-N
MW85.11 g/mol
LogP0.05
Rot. Bonds1

About (E)-but-2-enamide

(E)-but-2-enamide (PubChem CID 5354487) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is (E)-but-2-enamide.

Molecular Properties

Compound Name(E)-but-2-enamide
PubChem CID5354487
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name(E)-but-2-enamide
SMILESC/C=C/C(N)=O
InChIInChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+
InChIKeyNQQRXZOPZBKCNF-NSCUHMNNSA-N
XLogP0.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-but-2-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

Senecioic acid amide
CID 20560
Maleamide
CID 5355656
Fumaramide
CID 446408
Sorbamide
CID 6285467
cis-2-Pentenoic acid amide
CID 6432143
cis-2-Butenoic acid amide
CID 5463109
But-2-enamide
CID 31877
But-2-enediamide
CID 69395
2-Pentenamide, (2E)-
CID 5973527
2-Butenohydroxyamic acid
CID 12551466
2-Fluorobut-2-enamide
CID 140988978
pentenamid-Konzentrationen
CID 139986

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enamide?
The IUPAC name of (E)-but-2-enamide (CID 5354487) is (E)-but-2-enamide.
What is the SMILES notation for (E)-but-2-enamide?
The canonical SMILES for (E)-but-2-enamide is C/C=C/C(N)=O.
What is the InChIKey of (E)-but-2-enamide?
The InChIKey is NQQRXZOPZBKCNF-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+.
What are the key properties of (E)-but-2-enamide?
(E)-but-2-enamide has a molecular weight of 85.11 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enamide is sourced from PubChem (CID 5354487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).