1-ethenyl-2-ethylidenecyclopropane

C7H10 — CID 123464056

IUPAC1-ethenyl-2-ethylidenecyclopropane
SMILESC=CC1CC1=CC
InChIInChI=1S/C7H10/c1-3-6-5-7(6)4-2/h3-4,6H,1,5H2,2H3
InChIKeySFSYEMMJCAYBGK-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.14
Rot. Bonds1

About 1-ethenyl-2-ethylidenecyclopropane

1-ethenyl-2-ethylidenecyclopropane (PubChem CID 123464056) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 1-ethenyl-2-ethylidenecyclopropane.

Molecular Properties

Compound Name1-ethenyl-2-ethylidenecyclopropane
PubChem CID123464056
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name1-ethenyl-2-ethylidenecyclopropane
SMILESC=CC1CC1=CC
InChIInChI=1S/C7H10/c1-3-6-5-7(6)4-2/h3-4,6H,1,5H2,2H3
InChIKeySFSYEMMJCAYBGK-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.14
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 1-ethenyl-2-ethylidenecyclopropane?
The IUPAC name of 1-ethenyl-2-ethylidenecyclopropane (CID 123464056) is 1-ethenyl-2-ethylidenecyclopropane.
What is the SMILES notation for 1-ethenyl-2-ethylidenecyclopropane?
The canonical SMILES for 1-ethenyl-2-ethylidenecyclopropane is C=CC1CC1=CC.
What is the InChIKey of 1-ethenyl-2-ethylidenecyclopropane?
The InChIKey is SFSYEMMJCAYBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-3-6-5-7(6)4-2/h3-4,6H,1,5H2,2H3.
What are the key properties of 1-ethenyl-2-ethylidenecyclopropane?
1-ethenyl-2-ethylidenecyclopropane has a molecular weight of 94.16 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-ethylidenecyclopropane is sourced from PubChem (CID 123464056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).