7-chlorobicyclo[2.2.1]heptane

C7H11Cl — CID 15567366

IUPAC7-chlorobicyclo[2.2.1]heptane
SMILESClC1C2CCC1CC2
InChIInChI=1S/C7H11Cl/c8-7-5-1-2-6(7)4-3-5/h5-7H,1-4H2
InChIKeyMJPPLIVZXBJOSR-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.41
Rot. Bonds

About 7-chlorobicyclo[2.2.1]heptane

7-chlorobicyclo[2.2.1]heptane (PubChem CID 15567366) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 7-chlorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-chlorobicyclo[2.2.1]heptane
PubChem CID15567366
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name7-chlorobicyclo[2.2.1]heptane
SMILESClC1C2CCC1CC2
InChIInChI=1S/C7H11Cl/c8-7-5-1-2-6(7)4-3-5/h5-7H,1-4H2
InChIKeyMJPPLIVZXBJOSR-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chlorobicyclo[2.2.1]heptane?
The IUPAC name of 7-chlorobicyclo[2.2.1]heptane (CID 15567366) is 7-chlorobicyclo[2.2.1]heptane.
What is the SMILES notation for 7-chlorobicyclo[2.2.1]heptane?
The canonical SMILES for 7-chlorobicyclo[2.2.1]heptane is ClC1C2CCC1CC2.
What is the InChIKey of 7-chlorobicyclo[2.2.1]heptane?
The InChIKey is MJPPLIVZXBJOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c8-7-5-1-2-6(7)4-3-5/h5-7H,1-4H2.
What are the key properties of 7-chlorobicyclo[2.2.1]heptane?
7-chlorobicyclo[2.2.1]heptane has a molecular weight of 130.62 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorobicyclo[2.2.1]heptane is sourced from PubChem (CID 15567366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).