5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene

C10H15Cl — CID 18413320

IUPAC5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(Cl)CC1CC2C=CC1C2
InChIInChI=1S/C10H15Cl/c1-7(11)4-10-6-8-2-3-9(10)5-8/h2-3,7-10H,4-6H2,1H3
InChIKeyBBXMHPPJTJWGBW-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.22
Rot. Bonds2

About 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene

5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 18413320) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene
PubChem CID18413320
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene
SMILESCC(Cl)CC1CC2C=CC1C2
InChIInChI=1S/C10H15Cl/c1-7(11)4-10-6-8-2-3-9(10)5-8/h2-3,7-10H,4-6H2,1H3
InChIKeyBBXMHPPJTJWGBW-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene (CID 18413320) is 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene is CC(Cl)CC1CC2C=CC1C2.
What is the InChIKey of 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is BBXMHPPJTJWGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-7(11)4-10-6-8-2-3-9(10)5-8/h2-3,7-10H,4-6H2,1H3.
What are the key properties of 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene?
5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 170.68 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropropyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 18413320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).