6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one

C8H9ClO — CID 55300936

IUPAC6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one
SMILESO=C1CCC2C(CCl)=CC12
InChIInChI=1S/C8H9ClO/c9-4-5-3-7-6(5)1-2-8(7)10/h3,6-7H,1-2,4H2
InChIKeyONYCQWZMFIQRFR-UHFFFAOYSA-N
MW156.61 g/mol
LogP1.76
Rot. Bonds1

About 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one

6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one (PubChem CID 55300936) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one.

Molecular Properties

Compound Name6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one
PubChem CID55300936
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one
SMILESO=C1CCC2C(CCl)=CC12
InChIInChI=1S/C8H9ClO/c9-4-5-3-7-6(5)1-2-8(7)10/h3,6-7H,1-2,4H2
InChIKeyONYCQWZMFIQRFR-UHFFFAOYSA-N
XLogP1.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one?
The IUPAC name of 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one (CID 55300936) is 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one.
What is the SMILES notation for 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one?
The canonical SMILES for 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one is O=C1CCC2C(CCl)=CC12.
What is the InChIKey of 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one?
The InChIKey is ONYCQWZMFIQRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c9-4-5-3-7-6(5)1-2-8(7)10/h3,6-7H,1-2,4H2.
What are the key properties of 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one?
6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one has a molecular weight of 156.61 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one is sourced from PubChem (CID 55300936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).