5-chloro-5-propylbicyclo[2.2.1]hept-2-ene

C10H15Cl — CID 21396934

IUPAC5-chloro-5-propylbicyclo[2.2.1]hept-2-ene
SMILESCCCC1(Cl)CC2C=CC1C2
InChIInChI=1S/C10H15Cl/c1-2-5-10(11)7-8-3-4-9(10)6-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyLQPAOQCIBVFBMN-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.36
Rot. Bonds2

About 5-chloro-5-propylbicyclo[2.2.1]hept-2-ene

5-chloro-5-propylbicyclo[2.2.1]hept-2-ene (PubChem CID 21396934) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 5-chloro-5-propylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-chloro-5-propylbicyclo[2.2.1]hept-2-ene
PubChem CID21396934
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name5-chloro-5-propylbicyclo[2.2.1]hept-2-ene
SMILESCCCC1(Cl)CC2C=CC1C2
InChIInChI=1S/C10H15Cl/c1-2-5-10(11)7-8-3-4-9(10)6-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyLQPAOQCIBVFBMN-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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-chloro-5-propylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-chloro-5-propylbicyclo[2.2.1]hept-2-ene (CID 21396934) is 5-chloro-5-propylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-chloro-5-propylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-chloro-5-propylbicyclo[2.2.1]hept-2-ene is CCCC1(Cl)CC2C=CC1C2.
What is the InChIKey of 5-chloro-5-propylbicyclo[2.2.1]hept-2-ene?
The InChIKey is LQPAOQCIBVFBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-2-5-10(11)7-8-3-4-9(10)6-8/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of 5-chloro-5-propylbicyclo[2.2.1]hept-2-ene?
5-chloro-5-propylbicyclo[2.2.1]hept-2-ene has a molecular weight of 170.68 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5-propylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 21396934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).