(3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane

C10H15Cl — CID 12940264

IUPAC(3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)/C(=C\Cl)C2CCC1C2
InChIInChI=1S/C10H15Cl/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-8H,3-5H2,1-2H3/b9-6-
InChIKeyOXGQZPPXKJCCLZ-TWGQIWQCSA-N
MW170.68 g/mol
LogP3.57
Rot. Bonds

About (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane

(3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane (PubChem CID 12940264) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
PubChem CID12940264
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name(3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)/C(=C\Cl)C2CCC1C2
InChIInChI=1S/C10H15Cl/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-8H,3-5H2,1-2H3/b9-6-
InChIKeyOXGQZPPXKJCCLZ-TWGQIWQCSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane (CID 12940264) is (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane is CC1(C)/C(=C\Cl)C2CCC1C2.
What is the InChIKey of (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane?
The InChIKey is OXGQZPPXKJCCLZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H15Cl/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-8H,3-5H2,1-2H3/b9-6-.
What are the key properties of (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane?
(3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane has a molecular weight of 170.68 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(chloromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 12940264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).