9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene

C21H24 — CID 20691829

IUPAC9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene
SMILESCC(C)(C1CC=CC1)C1C2C=CC=CC2=C2C=CC=CC21
InChIInChI=1S/C21H24/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h3-8,11-15,18-20H,9-10H2,1-2H3
InChIKeyOTAYVRIMRSMPSO-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.39
Rot. Bonds2

About 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene

9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene (PubChem CID 20691829) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene.

Molecular Properties

Compound Name9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene
PubChem CID20691829
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene
SMILESCC(C)(C1CC=CC1)C1C2C=CC=CC2=C2C=CC=CC21
InChIInChI=1S/C21H24/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h3-8,11-15,18-20H,9-10H2,1-2H3
InChIKeyOTAYVRIMRSMPSO-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene 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 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene?
The IUPAC name of 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene (CID 20691829) is 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene.
What is the SMILES notation for 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene?
The canonical SMILES for 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene is CC(C)(C1CC=CC1)C1C2C=CC=CC2=C2C=CC=CC21.
What is the InChIKey of 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene?
The InChIKey is OTAYVRIMRSMPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h3-8,11-15,18-20H,9-10H2,1-2H3.
What are the key properties of 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene?
9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene has a molecular weight of 276.42 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopent-3-en-1-ylpropan-2-yl)-9,9a-dihydro-8aH-fluorene is sourced from PubChem (CID 20691829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).