(2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane

C12H18 — CID 173422595

IUPAC(2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane
SMILESC=CCC1CC2C/C(=C/C)C1C2
InChIInChI=1S/C12H18/c1-3-5-11-7-9-6-10(4-2)12(11)8-9/h3-4,9,11-12H,1,5-8H2,2H3/b10-4-
InChIKeyOVJKMZHHSKLLJY-WMZJFQQLSA-N
MW162.28 g/mol
LogP3.55
Rot. Bonds2

About (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane

(2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane (PubChem CID 173422595) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane
PubChem CID173422595
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane
SMILESC=CCC1CC2C/C(=C/C)C1C2
InChIInChI=1S/C12H18/c1-3-5-11-7-9-6-10(4-2)12(11)8-9/h3-4,9,11-12H,1,5-8H2,2H3/b10-4-
InChIKeyOVJKMZHHSKLLJY-WMZJFQQLSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane?
The IUPAC name of (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane (CID 173422595) is (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane.
What is the SMILES notation for (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane?
The canonical SMILES for (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane is C=CCC1CC2C/C(=C/C)C1C2.
What is the InChIKey of (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane?
The InChIKey is OVJKMZHHSKLLJY-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H18/c1-3-5-11-7-9-6-10(4-2)12(11)8-9/h3-4,9,11-12H,1,5-8H2,2H3/b10-4-.
What are the key properties of (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane?
(2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane has a molecular weight of 162.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-6-prop-2-enylbicyclo[2.2.1]heptane is sourced from PubChem (CID 173422595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).