1-chloro-2-ethylcyclopentene

C7H11Cl — CID 68880361

IUPAC1-chloro-2-ethylcyclopentene
SMILESCCC1=C(Cl)CCC1
InChIInChI=1S/C7H11Cl/c1-2-6-4-3-5-7(6)8/h2-5H2,1H3
InChIKeyCXCGZTNFEOPENV-UHFFFAOYSA-N
MW130.62 g/mol
LogP3.07
Rot. Bonds1

About 1-chloro-2-ethylcyclopentene

1-chloro-2-ethylcyclopentene (PubChem CID 68880361) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 1-chloro-2-ethylcyclopentene.

Molecular Properties

Compound Name1-chloro-2-ethylcyclopentene
PubChem CID68880361
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name1-chloro-2-ethylcyclopentene
SMILESCCC1=C(Cl)CCC1
InChIInChI=1S/C7H11Cl/c1-2-6-4-3-5-7(6)8/h2-5H2,1H3
InChIKeyCXCGZTNFEOPENV-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-ethylcyclopentene 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 1-chloro-2-ethylcyclopentene?
The IUPAC name of 1-chloro-2-ethylcyclopentene (CID 68880361) is 1-chloro-2-ethylcyclopentene.
What is the SMILES notation for 1-chloro-2-ethylcyclopentene?
The canonical SMILES for 1-chloro-2-ethylcyclopentene is CCC1=C(Cl)CCC1.
What is the InChIKey of 1-chloro-2-ethylcyclopentene?
The InChIKey is CXCGZTNFEOPENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c1-2-6-4-3-5-7(6)8/h2-5H2,1H3.
What are the key properties of 1-chloro-2-ethylcyclopentene?
1-chloro-2-ethylcyclopentene has a molecular weight of 130.62 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylcyclopentene is sourced from PubChem (CID 68880361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).