1,2-dichloro-1-ethenylcyclopropane

C5H6Cl2 — CID 54230922

IUPAC1,2-dichloro-1-ethenylcyclopropane
SMILESC=CC1(Cl)CC1Cl
InChIInChI=1S/C5H6Cl2/c1-2-5(7)3-4(5)6/h2,4H,1,3H2
InChIKeyQJEXLJKAORTKAF-UHFFFAOYSA-N
MW137.01 g/mol
LogP2.16
Rot. Bonds1

About 1,2-dichloro-1-ethenylcyclopropane

1,2-dichloro-1-ethenylcyclopropane (PubChem CID 54230922) has the molecular formula C5H6Cl2 and a molecular weight of 137.01 g/mol. Its IUPAC name is 1,2-dichloro-1-ethenylcyclopropane.

Molecular Properties

Compound Name1,2-dichloro-1-ethenylcyclopropane
PubChem CID54230922
Molecular FormulaC5H6Cl2
Molecular Weight137.01 g/mol
Exact Mass135.98
IUPAC Name1,2-dichloro-1-ethenylcyclopropane
SMILESC=CC1(Cl)CC1Cl
InChIInChI=1S/C5H6Cl2/c1-2-5(7)3-4(5)6/h2,4H,1,3H2
InChIKeyQJEXLJKAORTKAF-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.01
LogP ≤ 52.16
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 1,2-dichloro-1-ethenylcyclopropane?
The IUPAC name of 1,2-dichloro-1-ethenylcyclopropane (CID 54230922) is 1,2-dichloro-1-ethenylcyclopropane.
What is the SMILES notation for 1,2-dichloro-1-ethenylcyclopropane?
The canonical SMILES for 1,2-dichloro-1-ethenylcyclopropane is C=CC1(Cl)CC1Cl.
What is the InChIKey of 1,2-dichloro-1-ethenylcyclopropane?
The InChIKey is QJEXLJKAORTKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2/c1-2-5(7)3-4(5)6/h2,4H,1,3H2.
What are the key properties of 1,2-dichloro-1-ethenylcyclopropane?
1,2-dichloro-1-ethenylcyclopropane has a molecular weight of 137.01 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-ethenylcyclopropane is sourced from PubChem (CID 54230922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).