(1S,4S)-4-methoxycyclopent-2-en-1-amine

C6H11NO — CID 174408314

IUPAC(1S,4S)-4-methoxycyclopent-2-en-1-amine
SMILESCO[C@@H]1C=C[C@@H](N)C1
InChIInChI=1S/C6H11NO/c1-8-6-3-2-5(7)4-6/h2-3,5-6H,4,7H2,1H3/t5-,6-/m1/s1
InChIKeyNZGKZRMYVXUMBQ-PHDIDXHHSA-N
MW113.16 g/mol
LogP0.29
Rot. Bonds1

About (1S,4S)-4-methoxycyclopent-2-en-1-amine

(1S,4S)-4-methoxycyclopent-2-en-1-amine (PubChem CID 174408314) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S,4S)-4-methoxycyclopent-2-en-1-amine.

Molecular Properties

Compound Name(1S,4S)-4-methoxycyclopent-2-en-1-amine
PubChem CID174408314
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1S,4S)-4-methoxycyclopent-2-en-1-amine
SMILESCO[C@@H]1C=C[C@@H](N)C1
InChIInChI=1S/C6H11NO/c1-8-6-3-2-5(7)4-6/h2-3,5-6H,4,7H2,1H3/t5-,6-/m1/s1
InChIKeyNZGKZRMYVXUMBQ-PHDIDXHHSA-N
XLogP0.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,4S)-4-methoxycyclopent-2-en-1-amine?
The IUPAC name of (1S,4S)-4-methoxycyclopent-2-en-1-amine (CID 174408314) is (1S,4S)-4-methoxycyclopent-2-en-1-amine.
What is the SMILES notation for (1S,4S)-4-methoxycyclopent-2-en-1-amine?
The canonical SMILES for (1S,4S)-4-methoxycyclopent-2-en-1-amine is CO[C@@H]1C=C[C@@H](N)C1.
What is the InChIKey of (1S,4S)-4-methoxycyclopent-2-en-1-amine?
The InChIKey is NZGKZRMYVXUMBQ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-3-2-5(7)4-6/h2-3,5-6H,4,7H2,1H3/t5-,6-/m1/s1.
What are the key properties of (1S,4S)-4-methoxycyclopent-2-en-1-amine?
(1S,4S)-4-methoxycyclopent-2-en-1-amine has a molecular weight of 113.16 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-methoxycyclopent-2-en-1-amine is sourced from PubChem (CID 174408314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).