2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane

C15H22 — CID 72583834

IUPAC2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane
SMILESCC=C1CC2CC1CC2C1C=CC(C)C1
InChIInChI=1S/C15H22/c1-3-11-7-14-8-13(11)9-15(14)12-5-4-10(2)6-12/h3-5,10,12-15H,6-9H2,1-2H3
InChIKeySNTJGMNDEVJWDW-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.19
Rot. Bonds1

About 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane

2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane (PubChem CID 72583834) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane
PubChem CID72583834
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane
SMILESCC=C1CC2CC1CC2C1C=CC(C)C1
InChIInChI=1S/C15H22/c1-3-11-7-14-8-13(11)9-15(14)12-5-4-10(2)6-12/h3-5,10,12-15H,6-9H2,1-2H3
InChIKeySNTJGMNDEVJWDW-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane (CID 72583834) is 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane is CC=C1CC2CC1CC2C1C=CC(C)C1.
What is the InChIKey of 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane?
The InChIKey is SNTJGMNDEVJWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-3-11-7-14-8-13(11)9-15(14)12-5-4-10(2)6-12/h3-5,10,12-15H,6-9H2,1-2H3.
What are the key properties of 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane?
2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane has a molecular weight of 202.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 72583834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).