(4S)-4-methylcyclopent-2-en-1-amine

C6H11N — CID 174094517

IUPAC(4S)-4-methylcyclopent-2-en-1-amine
SMILESC[C@@H]1C=CC(N)C1
InChIInChI=1S/C6H11N/c1-5-2-3-6(7)4-5/h2-3,5-6H,4,7H2,1H3/t5-,6?/m1/s1
InChIKeyBAQHGGYGIJEPRU-LWOQYNTDSA-N
MW97.16 g/mol
LogP0.91
Rot. Bonds

About (4S)-4-methylcyclopent-2-en-1-amine

(4S)-4-methylcyclopent-2-en-1-amine (PubChem CID 174094517) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (4S)-4-methylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name(4S)-4-methylcyclopent-2-en-1-amine
PubChem CID174094517
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(4S)-4-methylcyclopent-2-en-1-amine
SMILESC[C@@H]1C=CC(N)C1
InChIInChI=1S/C6H11N/c1-5-2-3-6(7)4-5/h2-3,5-6H,4,7H2,1H3/t5-,6?/m1/s1
InChIKeyBAQHGGYGIJEPRU-LWOQYNTDSA-N
XLogP0.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-4-methylcyclopent-2-en-1-amine 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 (4S)-4-methylcyclopent-2-en-1-amine?
The IUPAC name of (4S)-4-methylcyclopent-2-en-1-amine (CID 174094517) is (4S)-4-methylcyclopent-2-en-1-amine.
What is the SMILES notation for (4S)-4-methylcyclopent-2-en-1-amine?
The canonical SMILES for (4S)-4-methylcyclopent-2-en-1-amine is C[C@@H]1C=CC(N)C1.
What is the InChIKey of (4S)-4-methylcyclopent-2-en-1-amine?
The InChIKey is BAQHGGYGIJEPRU-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H11N/c1-5-2-3-6(7)4-5/h2-3,5-6H,4,7H2,1H3/t5-,6?/m1/s1.
What are the key properties of (4S)-4-methylcyclopent-2-en-1-amine?
(4S)-4-methylcyclopent-2-en-1-amine has a molecular weight of 97.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methylcyclopent-2-en-1-amine is sourced from PubChem (CID 174094517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).