2-ethenyl-3-methylidenebicyclo[2.2.2]octane

C11H16 — CID 101051227

IUPAC2-ethenyl-3-methylidenebicyclo[2.2.2]octane
SMILESC=CC1C(=C)C2CCC1CC2
InChIInChI=1S/C11H16/c1-3-11-8(2)9-4-6-10(11)7-5-9/h3,9-11H,1-2,4-7H2
InChIKeyHITICEORPHCNSP-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.16
Rot. Bonds1

About 2-ethenyl-3-methylidenebicyclo[2.2.2]octane

2-ethenyl-3-methylidenebicyclo[2.2.2]octane (PubChem CID 101051227) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-ethenyl-3-methylidenebicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-ethenyl-3-methylidenebicyclo[2.2.2]octane
PubChem CID101051227
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-ethenyl-3-methylidenebicyclo[2.2.2]octane
SMILESC=CC1C(=C)C2CCC1CC2
InChIInChI=1S/C11H16/c1-3-11-8(2)9-4-6-10(11)7-5-9/h3,9-11H,1-2,4-7H2
InChIKeyHITICEORPHCNSP-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.16
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-ethenyl-3-methylidenebicyclo[2.2.2]octane?
The IUPAC name of 2-ethenyl-3-methylidenebicyclo[2.2.2]octane (CID 101051227) is 2-ethenyl-3-methylidenebicyclo[2.2.2]octane.
What is the SMILES notation for 2-ethenyl-3-methylidenebicyclo[2.2.2]octane?
The canonical SMILES for 2-ethenyl-3-methylidenebicyclo[2.2.2]octane is C=CC1C(=C)C2CCC1CC2.
What is the InChIKey of 2-ethenyl-3-methylidenebicyclo[2.2.2]octane?
The InChIKey is HITICEORPHCNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-11-8(2)9-4-6-10(11)7-5-9/h3,9-11H,1-2,4-7H2.
What are the key properties of 2-ethenyl-3-methylidenebicyclo[2.2.2]octane?
2-ethenyl-3-methylidenebicyclo[2.2.2]octane has a molecular weight of 148.25 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methylidenebicyclo[2.2.2]octane is sourced from PubChem (CID 101051227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).