3-ethylcyclopentene

C7H11+ — CID 163667335

IUPAC3-ethylcyclopentene
SMILESC[CH+]C1C=CCC1
InChIInChI=1S/C7H11/c1-2-7-5-3-4-6-7/h2-3,5,7H,4,6H2,1H3/q+1
InChIKeyIZPXZQXCCXQYIL-UHFFFAOYSA-N
MW95.16 g/mol
LogP2.18
Rot. Bonds1

About 3-ethylcyclopentene

3-ethylcyclopentene (PubChem CID 163667335) has the molecular formula C7H11+ and a molecular weight of 95.16 g/mol. Its IUPAC name is 3-ethylcyclopentene.

Molecular Properties

Compound Name3-ethylcyclopentene
PubChem CID163667335
Molecular FormulaC7H11+
Molecular Weight95.16 g/mol
Exact Mass95.09
IUPAC Name3-ethylcyclopentene
SMILESC[CH+]C1C=CCC1
InChIInChI=1S/C7H11/c1-2-7-5-3-4-6-7/h2-3,5,7H,4,6H2,1H3/q+1
InChIKeyIZPXZQXCCXQYIL-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.16
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methylcyclopentene
CID 11018803
cyclopent-2-en-1-yl(trimethyl)germane
CID 23264491
5-methylcyclononene
CID 524408
3-hydroperoxycyclopentene
CID 10909498
ethane;3-methylcyclohexene
CID 145337562
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
(1Z)-6-methylcyclononene
CID 22177377
(1S)-cyclopent-2-en-1-ol
CID 11789128
cyclopent-2-en-1-ylphosphane
CID 141088996
(1Z)-3,6-dimethylcyclooctene
CID 159575743
ethane;(3R)-3-ethylcyclopentene
CID 145484001

Frequently Asked Questions

What is the IUPAC name of 3-ethylcyclopentene?
The IUPAC name of 3-ethylcyclopentene (CID 163667335) is 3-ethylcyclopentene.
What is the SMILES notation for 3-ethylcyclopentene?
The canonical SMILES for 3-ethylcyclopentene is C[CH+]C1C=CCC1.
What is the InChIKey of 3-ethylcyclopentene?
The InChIKey is IZPXZQXCCXQYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11/c1-2-7-5-3-4-6-7/h2-3,5,7H,4,6H2,1H3/q+1.
What are the key properties of 3-ethylcyclopentene?
3-ethylcyclopentene has a molecular weight of 95.16 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclopentene is sourced from PubChem (CID 163667335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).