3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane

C10H15Cl — CID 131177636

IUPAC3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane
SMILESC=CCC1(CCl)CC2CC2C1
InChIInChI=1S/C10H15Cl/c1-2-3-10(7-11)5-8-4-9(8)6-10/h2,8-9H,1,3-7H2
InChIKeySQNSTSMVDVHYJY-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.22
Rot. Bonds3

About 3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane

3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane (PubChem CID 131177636) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane
PubChem CID131177636
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane
SMILESC=CCC1(CCl)CC2CC2C1
InChIInChI=1S/C10H15Cl/c1-2-3-10(7-11)5-8-4-9(8)6-10/h2,8-9H,1,3-7H2
InChIKeySQNSTSMVDVHYJY-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.22
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-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane?
The IUPAC name of 3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane (CID 131177636) is 3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane?
The canonical SMILES for 3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane is C=CCC1(CCl)CC2CC2C1.
What is the InChIKey of 3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane?
The InChIKey is SQNSTSMVDVHYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-2-3-10(7-11)5-8-4-9(8)6-10/h2,8-9H,1,3-7H2.
What are the key properties of 3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane?
3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane has a molecular weight of 170.68 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-prop-2-enylbicyclo[3.1.0]hexane is sourced from PubChem (CID 131177636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).