3-chloro-1,2-dimethylcyclopentene

C7H11Cl — CID 18343526

IUPAC3-chloro-1,2-dimethylcyclopentene
SMILESCC1=C(C)C(Cl)CC1
InChIInChI=1S/C7H11Cl/c1-5-3-4-7(8)6(5)2/h7H,3-4H2,1-2H3
InChIKeyFOGCJKXLESFKSM-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.72
Rot. Bonds

About 3-chloro-1,2-dimethylcyclopentene

3-chloro-1,2-dimethylcyclopentene (PubChem CID 18343526) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 3-chloro-1,2-dimethylcyclopentene.

Molecular Properties

Compound Name3-chloro-1,2-dimethylcyclopentene
PubChem CID18343526
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name3-chloro-1,2-dimethylcyclopentene
SMILESCC1=C(C)C(Cl)CC1
InChIInChI=1S/C7H11Cl/c1-5-3-4-7(8)6(5)2/h7H,3-4H2,1-2H3
InChIKeyFOGCJKXLESFKSM-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2-dimethylcyclopentene?
The IUPAC name of 3-chloro-1,2-dimethylcyclopentene (CID 18343526) is 3-chloro-1,2-dimethylcyclopentene.
What is the SMILES notation for 3-chloro-1,2-dimethylcyclopentene?
The canonical SMILES for 3-chloro-1,2-dimethylcyclopentene is CC1=C(C)C(Cl)CC1.
What is the InChIKey of 3-chloro-1,2-dimethylcyclopentene?
The InChIKey is FOGCJKXLESFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c1-5-3-4-7(8)6(5)2/h7H,3-4H2,1-2H3.
What are the key properties of 3-chloro-1,2-dimethylcyclopentene?
3-chloro-1,2-dimethylcyclopentene has a molecular weight of 130.62 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2-dimethylcyclopentene is sourced from PubChem (CID 18343526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).