(E)-4-bromo-N-cyclopentylbut-2-enamide

C9H14BrNO — CID 153266331

IUPAC(E)-4-bromo-N-cyclopentylbut-2-enamide
SMILESO=C(/C=C/CBr)NC1CCCC1
InChIInChI=1S/C9H14BrNO/c10-7-3-6-9(12)11-8-4-1-2-5-8/h3,6,8H,1-2,4-5,7H2,(H,11,12)/b6-3+
InChIKeyNGOJLCLADLJMNQ-ZZXKWVIFSA-N
MW232.12 g/mol
LogP2.00
Rot. Bonds3

About (E)-4-bromo-N-cyclopentylbut-2-enamide

(E)-4-bromo-N-cyclopentylbut-2-enamide (PubChem CID 153266331) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is (E)-4-bromo-N-cyclopentylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-bromo-N-cyclopentylbut-2-enamide
PubChem CID153266331
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name(E)-4-bromo-N-cyclopentylbut-2-enamide
SMILESO=C(/C=C/CBr)NC1CCCC1
InChIInChI=1S/C9H14BrNO/c10-7-3-6-9(12)11-8-4-1-2-5-8/h3,6,8H,1-2,4-5,7H2,(H,11,12)/b6-3+
InChIKeyNGOJLCLADLJMNQ-ZZXKWVIFSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-bromo-N-cyclopentylbut-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

(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride
CID 131245624
N-cyclohexylhexa-2,4-dienamide
CID 71382981
(E)-N-cyclohexyl-4,4-dimethylhex-2-enamide
CID 166823863
N-cyclodecylprop-2-enamide
CID 18400354
(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
CID 130533152
(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
CID 10878394
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide
CID 140983187
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-N-cyclopentylbut-2-enamide?
The IUPAC name of (E)-4-bromo-N-cyclopentylbut-2-enamide (CID 153266331) is (E)-4-bromo-N-cyclopentylbut-2-enamide.
What is the SMILES notation for (E)-4-bromo-N-cyclopentylbut-2-enamide?
The canonical SMILES for (E)-4-bromo-N-cyclopentylbut-2-enamide is O=C(/C=C/CBr)NC1CCCC1.
What is the InChIKey of (E)-4-bromo-N-cyclopentylbut-2-enamide?
The InChIKey is NGOJLCLADLJMNQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H14BrNO/c10-7-3-6-9(12)11-8-4-1-2-5-8/h3,6,8H,1-2,4-5,7H2,(H,11,12)/b6-3+.
What are the key properties of (E)-4-bromo-N-cyclopentylbut-2-enamide?
(E)-4-bromo-N-cyclopentylbut-2-enamide has a molecular weight of 232.12 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-N-cyclopentylbut-2-enamide is sourced from PubChem (CID 153266331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).