2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane

C11H19I — CID 134454213

IUPAC2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane
SMILESCCCC1C2CCC(C2)C1CI
InChIInChI=1S/C11H19I/c1-2-3-10-8-4-5-9(6-8)11(10)7-12/h8-11H,2-7H2,1H3
InChIKeyBCBFYHPBKFABMY-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.88
Rot. Bonds3

About 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane

2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane (PubChem CID 134454213) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane
PubChem CID134454213
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane
SMILESCCCC1C2CCC(C2)C1CI
InChIInChI=1S/C11H19I/c1-2-3-10-8-4-5-9(6-8)11(10)7-12/h8-11H,2-7H2,1H3
InChIKeyBCBFYHPBKFABMY-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane (CID 134454213) is 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane is CCCC1C2CCC(C2)C1CI.
What is the InChIKey of 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane?
The InChIKey is BCBFYHPBKFABMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c1-2-3-10-8-4-5-9(6-8)11(10)7-12/h8-11H,2-7H2,1H3.
What are the key properties of 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane?
2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane has a molecular weight of 278.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-3-propylbicyclo[2.2.1]heptane is sourced from PubChem (CID 134454213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).