2-cyclopent-2-en-1-ylquinoline

C14H13N — CID 68564738

IUPAC2-cyclopent-2-en-1-ylquinoline
SMILESC1=CC(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C14H13N/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)15-14/h1,3-5,7-11H,2,6H2
InChIKeyXRSUPKKEUCXVQM-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.67
Rot. Bonds1

About 2-cyclopent-2-en-1-ylquinoline

2-cyclopent-2-en-1-ylquinoline (PubChem CID 68564738) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-ylquinoline.

Molecular Properties

Compound Name2-cyclopent-2-en-1-ylquinoline
PubChem CID68564738
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name2-cyclopent-2-en-1-ylquinoline
SMILESC1=CC(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C14H13N/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)15-14/h1,3-5,7-11H,2,6H2
InChIKeyXRSUPKKEUCXVQM-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.67
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 2-cyclopent-2-en-1-ylquinoline?
The IUPAC name of 2-cyclopent-2-en-1-ylquinoline (CID 68564738) is 2-cyclopent-2-en-1-ylquinoline.
What is the SMILES notation for 2-cyclopent-2-en-1-ylquinoline?
The canonical SMILES for 2-cyclopent-2-en-1-ylquinoline is C1=CC(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-ylquinoline?
The InChIKey is XRSUPKKEUCXVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)15-14/h1,3-5,7-11H,2,6H2.
What are the key properties of 2-cyclopent-2-en-1-ylquinoline?
2-cyclopent-2-en-1-ylquinoline has a molecular weight of 195.26 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-ylquinoline is sourced from PubChem (CID 68564738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).