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

C6H11N — CID 59063048

IUPAC(1S,4R)-4-methylcyclopent-2-en-1-amine
SMILESC[C@H]1C=C[C@@H](N)C1
InChIInChI=1S/C6H11N/c1-5-2-3-6(7)4-5/h2-3,5-6H,4,7H2,1H3/t5-,6+/m0/s1
InChIKeyBAQHGGYGIJEPRU-NTSWFWBYSA-N
MW97.16 g/mol
LogP0.91
Rot. Bonds

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

(1S,4R)-4-methylcyclopent-2-en-1-amine (PubChem CID 59063048) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (1S,4R)-4-methylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name(1S,4R)-4-methylcyclopent-2-en-1-amine
PubChem CID59063048
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(1S,4R)-4-methylcyclopent-2-en-1-amine
SMILESC[C@H]1C=C[C@@H](N)C1
InChIInChI=1S/C6H11N/c1-5-2-3-6(7)4-5/h2-3,5-6H,4,7H2,1H3/t5-,6+/m0/s1
InChIKeyBAQHGGYGIJEPRU-NTSWFWBYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-methylcyclopent-2-en-1-amine?
The IUPAC name of (1S,4R)-4-methylcyclopent-2-en-1-amine (CID 59063048) is (1S,4R)-4-methylcyclopent-2-en-1-amine.
What is the SMILES notation for (1S,4R)-4-methylcyclopent-2-en-1-amine?
The canonical SMILES for (1S,4R)-4-methylcyclopent-2-en-1-amine is C[C@H]1C=C[C@@H](N)C1.
What is the InChIKey of (1S,4R)-4-methylcyclopent-2-en-1-amine?
The InChIKey is BAQHGGYGIJEPRU-NTSWFWBYSA-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+/m0/s1.
What are the key properties of (1S,4R)-4-methylcyclopent-2-en-1-amine?
(1S,4R)-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 (1S,4R)-4-methylcyclopent-2-en-1-amine is sourced from PubChem (CID 59063048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).