1-cyclopent-3-en-1-ylazepane

C11H19N — CID 67325729

IUPAC1-cyclopent-3-en-1-ylazepane
SMILESC1=CCC(N2CCCCCC2)C1
InChIInChI=1S/C11H19N/c1-2-6-10-12(9-5-1)11-7-3-4-8-11/h3-4,11H,1-2,5-10H2
InChIKeyLSBWONDPJNAQHV-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.58
Rot. Bonds1

About 1-cyclopent-3-en-1-ylazepane

1-cyclopent-3-en-1-ylazepane (PubChem CID 67325729) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-ylazepane.

Molecular Properties

Compound Name1-cyclopent-3-en-1-ylazepane
PubChem CID67325729
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-cyclopent-3-en-1-ylazepane
SMILESC1=CCC(N2CCCCCC2)C1
InChIInChI=1S/C11H19N/c1-2-6-10-12(9-5-1)11-7-3-4-8-11/h3-4,11H,1-2,5-10H2
InChIKeyLSBWONDPJNAQHV-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
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 1-cyclopent-3-en-1-ylazepane?
The IUPAC name of 1-cyclopent-3-en-1-ylazepane (CID 67325729) is 1-cyclopent-3-en-1-ylazepane.
What is the SMILES notation for 1-cyclopent-3-en-1-ylazepane?
The canonical SMILES for 1-cyclopent-3-en-1-ylazepane is C1=CCC(N2CCCCCC2)C1.
What is the InChIKey of 1-cyclopent-3-en-1-ylazepane?
The InChIKey is LSBWONDPJNAQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-6-10-12(9-5-1)11-7-3-4-8-11/h3-4,11H,1-2,5-10H2.
What are the key properties of 1-cyclopent-3-en-1-ylazepane?
1-cyclopent-3-en-1-ylazepane has a molecular weight of 165.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-ylazepane is sourced from PubChem (CID 67325729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).