(E)-N-carbamoyl-2-ethylbut-2-enamide

C7H12N2O2 — CID 5354486

IUPAC(E)-N-carbamoyl-2-ethylbut-2-enamide
SMILESC/C=C(\CC)C(=O)NC(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3H,4H2,1-2H3,(H3,8,9,10,11)/b5-3+
InChIKeyQCUPYFTWJOZAOB-HWKANZROSA-N
MW156.18 g/mol
LogP0.54
Rot. Bonds2

About (E)-N-carbamoyl-2-ethylbut-2-enamide

(E)-N-carbamoyl-2-ethylbut-2-enamide (PubChem CID 5354486) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (E)-N-carbamoyl-2-ethylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-carbamoyl-2-ethylbut-2-enamide
PubChem CID5354486
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(E)-N-carbamoyl-2-ethylbut-2-enamide
SMILESC/C=C(\CC)C(=O)NC(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3H,4H2,1-2H3,(H3,8,9,10,11)/b5-3+
InChIKeyQCUPYFTWJOZAOB-HWKANZROSA-N
XLogP0.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-carbamoyl-2-ethylbut-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

Frequently Asked Questions

What is the IUPAC name of (E)-N-carbamoyl-2-ethylbut-2-enamide?
The IUPAC name of (E)-N-carbamoyl-2-ethylbut-2-enamide (CID 5354486) is (E)-N-carbamoyl-2-ethylbut-2-enamide.
What is the SMILES notation for (E)-N-carbamoyl-2-ethylbut-2-enamide?
The canonical SMILES for (E)-N-carbamoyl-2-ethylbut-2-enamide is C/C=C(\CC)C(=O)NC(N)=O.
What is the InChIKey of (E)-N-carbamoyl-2-ethylbut-2-enamide?
The InChIKey is QCUPYFTWJOZAOB-HWKANZROSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3H,4H2,1-2H3,(H3,8,9,10,11)/b5-3+.
What are the key properties of (E)-N-carbamoyl-2-ethylbut-2-enamide?
(E)-N-carbamoyl-2-ethylbut-2-enamide has a molecular weight of 156.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-carbamoyl-2-ethylbut-2-enamide is sourced from PubChem (CID 5354486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).