1-chlorocycloheptene

C7H11Cl — CID 565389

IUPAC1-chlorocycloheptene
SMILESClC1=CCCCCC1
InChIInChI=1S/C7H11Cl/c8-7-5-3-1-2-4-6-7/h5H,1-4,6H2
InChIKeyWCEXMFVIUDRXKR-UHFFFAOYSA-N
MW130.62 g/mol
LogP3.07
Rot. Bonds

About 1-chlorocycloheptene

1-chlorocycloheptene (PubChem CID 565389) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 1-chlorocycloheptene.

Molecular Properties

Compound Name1-chlorocycloheptene
PubChem CID565389
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name1-chlorocycloheptene
SMILESClC1=CCCCCC1
InChIInChI=1S/C7H11Cl/c8-7-5-3-1-2-4-6-7/h5H,1-4,6H2
InChIKeyWCEXMFVIUDRXKR-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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-chlorocycloheptene 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-chlorocycloheptene?
The IUPAC name of 1-chlorocycloheptene (CID 565389) is 1-chlorocycloheptene.
What is the SMILES notation for 1-chlorocycloheptene?
The canonical SMILES for 1-chlorocycloheptene is ClC1=CCCCCC1.
What is the InChIKey of 1-chlorocycloheptene?
The InChIKey is WCEXMFVIUDRXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c8-7-5-3-1-2-4-6-7/h5H,1-4,6H2.
What are the key properties of 1-chlorocycloheptene?
1-chlorocycloheptene has a molecular weight of 130.62 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorocycloheptene is sourced from PubChem (CID 565389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).