7-(chloromethyl)bicyclo[4.1.0]heptane

C8H13Cl — CID 12627062

IUPAC7-(chloromethyl)bicyclo[4.1.0]heptane
SMILESClCC1C2CCCCC12
InChIInChI=1S/C8H13Cl/c9-5-8-6-3-1-2-4-7(6)8/h6-8H,1-5H2
InChIKeyCQVNYAMKXRLNFC-UHFFFAOYSA-N
MW144.64 g/mol
LogP2.66
Rot. Bonds1

About 7-(chloromethyl)bicyclo[4.1.0]heptane

7-(chloromethyl)bicyclo[4.1.0]heptane (PubChem CID 12627062) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is 7-(chloromethyl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-(chloromethyl)bicyclo[4.1.0]heptane
PubChem CID12627062
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name7-(chloromethyl)bicyclo[4.1.0]heptane
SMILESClCC1C2CCCCC12
InChIInChI=1S/C8H13Cl/c9-5-8-6-3-1-2-4-7(6)8/h6-8H,1-5H2
InChIKeyCQVNYAMKXRLNFC-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)bicyclo[4.1.0]heptane?
The IUPAC name of 7-(chloromethyl)bicyclo[4.1.0]heptane (CID 12627062) is 7-(chloromethyl)bicyclo[4.1.0]heptane.
What is the SMILES notation for 7-(chloromethyl)bicyclo[4.1.0]heptane?
The canonical SMILES for 7-(chloromethyl)bicyclo[4.1.0]heptane is ClCC1C2CCCCC12.
What is the InChIKey of 7-(chloromethyl)bicyclo[4.1.0]heptane?
The InChIKey is CQVNYAMKXRLNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c9-5-8-6-3-1-2-4-7(6)8/h6-8H,1-5H2.
What are the key properties of 7-(chloromethyl)bicyclo[4.1.0]heptane?
7-(chloromethyl)bicyclo[4.1.0]heptane has a molecular weight of 144.64 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 12627062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).