(3E)-1-ethenyl-3-ethylidenecyclopentane

C9H14 — CID 155632567

IUPAC(3E)-1-ethenyl-3-ethylidenecyclopentane
SMILESC=CC1CC/C(=C\C)C1
InChIInChI=1S/C9H14/c1-3-8-5-6-9(4-2)7-8/h3-4,8H,1,5-7H2,2H3/b9-4+
InChIKeyXLULMZGRANCYTL-RUDMXATFSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds1

About (3E)-1-ethenyl-3-ethylidenecyclopentane

(3E)-1-ethenyl-3-ethylidenecyclopentane (PubChem CID 155632567) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (3E)-1-ethenyl-3-ethylidenecyclopentane.

Molecular Properties

Compound Name(3E)-1-ethenyl-3-ethylidenecyclopentane
PubChem CID155632567
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(3E)-1-ethenyl-3-ethylidenecyclopentane
SMILESC=CC1CC/C(=C\C)C1
InChIInChI=1S/C9H14/c1-3-8-5-6-9(4-2)7-8/h3-4,8H,1,5-7H2,2H3/b9-4+
InChIKeyXLULMZGRANCYTL-RUDMXATFSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
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 (3E)-1-ethenyl-3-ethylidenecyclopentane?
The IUPAC name of (3E)-1-ethenyl-3-ethylidenecyclopentane (CID 155632567) is (3E)-1-ethenyl-3-ethylidenecyclopentane.
What is the SMILES notation for (3E)-1-ethenyl-3-ethylidenecyclopentane?
The canonical SMILES for (3E)-1-ethenyl-3-ethylidenecyclopentane is C=CC1CC/C(=C\C)C1.
What is the InChIKey of (3E)-1-ethenyl-3-ethylidenecyclopentane?
The InChIKey is XLULMZGRANCYTL-RUDMXATFSA-N. The full InChI is InChI=1S/C9H14/c1-3-8-5-6-9(4-2)7-8/h3-4,8H,1,5-7H2,2H3/b9-4+.
What are the key properties of (3E)-1-ethenyl-3-ethylidenecyclopentane?
(3E)-1-ethenyl-3-ethylidenecyclopentane has a molecular weight of 122.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-ethenyl-3-ethylidenecyclopentane is sourced from PubChem (CID 155632567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).