1-cyclopent-3-en-1-ylethanamine

C7H13N — CID 55284411

IUPAC1-cyclopent-3-en-1-ylethanamine
SMILESCC(N)C1CC=CC1
InChIInChI=1S/C7H13N/c1-6(8)7-4-2-3-5-7/h2-3,6-7H,4-5,8H2,1H3
InChIKeyQKHYHTQMIMLFCF-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds1

About 1-cyclopent-3-en-1-ylethanamine

1-cyclopent-3-en-1-ylethanamine (PubChem CID 55284411) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-ylethanamine.

Molecular Properties

Compound Name1-cyclopent-3-en-1-ylethanamine
PubChem CID55284411
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-cyclopent-3-en-1-ylethanamine
SMILESCC(N)C1CC=CC1
InChIInChI=1S/C7H13N/c1-6(8)7-4-2-3-5-7/h2-3,6-7H,4-5,8H2,1H3
InChIKeyQKHYHTQMIMLFCF-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopent-3-en-1-ylethanamine 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 1-cyclopent-3-en-1-ylethanamine?
The IUPAC name of 1-cyclopent-3-en-1-ylethanamine (CID 55284411) is 1-cyclopent-3-en-1-ylethanamine.
What is the SMILES notation for 1-cyclopent-3-en-1-ylethanamine?
The canonical SMILES for 1-cyclopent-3-en-1-ylethanamine is CC(N)C1CC=CC1.
What is the InChIKey of 1-cyclopent-3-en-1-ylethanamine?
The InChIKey is QKHYHTQMIMLFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(8)7-4-2-3-5-7/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 1-cyclopent-3-en-1-ylethanamine?
1-cyclopent-3-en-1-ylethanamine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-ylethanamine is sourced from PubChem (CID 55284411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).