N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide

C8H12BrN — CID 134181083

IUPACN-(2-methylcyclopenten-1-yl)ethanimidoyl bromide
SMILESCC1=C(/N=C(\C)Br)CCC1
InChIInChI=1S/C8H12BrN/c1-6-4-3-5-8(6)10-7(2)9/h3-5H2,1-2H3/b10-7+
InChIKeyRDEKFPULGBAXPX-JXMROGBWSA-N
MW202.09 g/mol
LogP3.26
Rot. Bonds1

About N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide

N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide (PubChem CID 134181083) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide.

Molecular Properties

Compound NameN-(2-methylcyclopenten-1-yl)ethanimidoyl bromide
PubChem CID134181083
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC NameN-(2-methylcyclopenten-1-yl)ethanimidoyl bromide
SMILESCC1=C(/N=C(\C)Br)CCC1
InChIInChI=1S/C8H12BrN/c1-6-4-3-5-8(6)10-7(2)9/h3-5H2,1-2H3/b10-7+
InChIKeyRDEKFPULGBAXPX-JXMROGBWSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide 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 N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide?
The IUPAC name of N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide (CID 134181083) is N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide.
What is the SMILES notation for N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide?
The canonical SMILES for N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide is CC1=C(/N=C(\C)Br)CCC1.
What is the InChIKey of N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide?
The InChIKey is RDEKFPULGBAXPX-JXMROGBWSA-N. The full InChI is InChI=1S/C8H12BrN/c1-6-4-3-5-8(6)10-7(2)9/h3-5H2,1-2H3/b10-7+.
What are the key properties of N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide?
N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide has a molecular weight of 202.09 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopenten-1-yl)ethanimidoyl bromide is sourced from PubChem (CID 134181083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).