3-chloropropylidenecyclobutane

C7H11Cl — CID 156801876

IUPAC3-chloropropylidenecyclobutane
SMILESClCCC=C1CCC1
InChIInChI=1S/C7H11Cl/c8-6-2-5-7-3-1-4-7/h5H,1-4,6H2
InChIKeyWLKSVEUUHMKOHG-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.73
Rot. Bonds2

About 3-chloropropylidenecyclobutane

3-chloropropylidenecyclobutane (PubChem CID 156801876) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 3-chloropropylidenecyclobutane.

Molecular Properties

Compound Name3-chloropropylidenecyclobutane
PubChem CID156801876
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name3-chloropropylidenecyclobutane
SMILESClCCC=C1CCC1
InChIInChI=1S/C7H11Cl/c8-6-2-5-7-3-1-4-7/h5H,1-4,6H2
InChIKeyWLKSVEUUHMKOHG-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.73
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-chloropropylidenecyclobutane?
The IUPAC name of 3-chloropropylidenecyclobutane (CID 156801876) is 3-chloropropylidenecyclobutane.
What is the SMILES notation for 3-chloropropylidenecyclobutane?
The canonical SMILES for 3-chloropropylidenecyclobutane is ClCCC=C1CCC1.
What is the InChIKey of 3-chloropropylidenecyclobutane?
The InChIKey is WLKSVEUUHMKOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c8-6-2-5-7-3-1-4-7/h5H,1-4,6H2.
What are the key properties of 3-chloropropylidenecyclobutane?
3-chloropropylidenecyclobutane has a molecular weight of 130.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropylidenecyclobutane is sourced from PubChem (CID 156801876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).