2-but-3-enyl-1,1-dichlorocyclopropane

C7H10Cl2 — CID 13253309

IUPAC2-but-3-enyl-1,1-dichlorocyclopropane
SMILESC=CCCC1CC1(Cl)Cl
InChIInChI=1S/C7H10Cl2/c1-2-3-4-6-5-7(6,8)9/h2,6H,1,3-5H2
InChIKeyFMRTWBIYFWZVFY-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.15
Rot. Bonds3

About 2-but-3-enyl-1,1-dichlorocyclopropane

2-but-3-enyl-1,1-dichlorocyclopropane (PubChem CID 13253309) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 2-but-3-enyl-1,1-dichlorocyclopropane.

Molecular Properties

Compound Name2-but-3-enyl-1,1-dichlorocyclopropane
PubChem CID13253309
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name2-but-3-enyl-1,1-dichlorocyclopropane
SMILESC=CCCC1CC1(Cl)Cl
InChIInChI=1S/C7H10Cl2/c1-2-3-4-6-5-7(6,8)9/h2,6H,1,3-5H2
InChIKeyFMRTWBIYFWZVFY-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.15
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'}

Analyze 2-but-3-enyl-1,1-dichlorocyclopropane 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 2-but-3-enyl-1,1-dichlorocyclopropane?
The IUPAC name of 2-but-3-enyl-1,1-dichlorocyclopropane (CID 13253309) is 2-but-3-enyl-1,1-dichlorocyclopropane.
What is the SMILES notation for 2-but-3-enyl-1,1-dichlorocyclopropane?
The canonical SMILES for 2-but-3-enyl-1,1-dichlorocyclopropane is C=CCCC1CC1(Cl)Cl.
What is the InChIKey of 2-but-3-enyl-1,1-dichlorocyclopropane?
The InChIKey is FMRTWBIYFWZVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c1-2-3-4-6-5-7(6,8)9/h2,6H,1,3-5H2.
What are the key properties of 2-but-3-enyl-1,1-dichlorocyclopropane?
2-but-3-enyl-1,1-dichlorocyclopropane has a molecular weight of 165.06 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1,1-dichlorocyclopropane is sourced from PubChem (CID 13253309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).