2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane

C11H17Cl — CID 67459259

IUPAC2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane
SMILESC=C(C)C1C2CCC(C2)C1CCl
InChIInChI=1S/C11H17Cl/c1-7(2)11-9-4-3-8(5-9)10(11)6-12/h8-11H,1,3-6H2,2H3
InChIKeyNXYBDNIUUWRXCQ-UHFFFAOYSA-N
MW184.71 g/mol
LogP3.46
Rot. Bonds2

About 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane

2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane (PubChem CID 67459259) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane
PubChem CID67459259
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane
SMILESC=C(C)C1C2CCC(C2)C1CCl
InChIInChI=1S/C11H17Cl/c1-7(2)11-9-4-3-8(5-9)10(11)6-12/h8-11H,1,3-6H2,2H3
InChIKeyNXYBDNIUUWRXCQ-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.46
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 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane (CID 67459259) is 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane is C=C(C)C1C2CCC(C2)C1CCl.
What is the InChIKey of 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane?
The InChIKey is NXYBDNIUUWRXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl/c1-7(2)11-9-4-3-8(5-9)10(11)6-12/h8-11H,1,3-6H2,2H3.
What are the key properties of 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane?
2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane has a molecular weight of 184.71 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 67459259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).