1-(chloromethyl)bicyclo[2.2.1]hept-2-ene

C8H11Cl — CID 23128472

IUPAC1-(chloromethyl)bicyclo[2.2.1]hept-2-ene
SMILESClCC12C=CC(CC1)C2
InChIInChI=1S/C8H11Cl/c9-6-8-3-1-7(5-8)2-4-8/h1,3,7H,2,4-6H2
InChIKeyJFMXMDVWTVJDGK-UHFFFAOYSA-N
MW142.63 g/mol
LogP2.58
Rot. Bonds1

About 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene

1-(chloromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 23128472) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(chloromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID23128472
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name1-(chloromethyl)bicyclo[2.2.1]hept-2-ene
SMILESClCC12C=CC(CC1)C2
InChIInChI=1S/C8H11Cl/c9-6-8-3-1-7(5-8)2-4-8/h1,3,7H,2,4-6H2
InChIKeyJFMXMDVWTVJDGK-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 52.58
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 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene (CID 23128472) is 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene is ClCC12C=CC(CC1)C2.
What is the InChIKey of 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is JFMXMDVWTVJDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl/c9-6-8-3-1-7(5-8)2-4-8/h1,3,7H,2,4-6H2.
What are the key properties of 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene?
1-(chloromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 142.63 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 23128472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).