spiro[2.4]hept-5-ene

C7H10 — CID 57429034

IUPACspiro[2.4]hept-5-ene
SMILESC1=CCC2(C1)CC2
InChIInChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2
InChIKeyPWULVHYHVZUTFR-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.12
Rot. Bonds

About spiro[2.4]hept-5-ene

spiro[2.4]hept-5-ene (PubChem CID 57429034) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is spiro[2.4]hept-5-ene.

Molecular Properties

Compound Namespiro[2.4]hept-5-ene
PubChem CID57429034
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Namespiro[2.4]hept-5-ene
SMILESC1=CCC2(C1)CC2
InChIInChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2
InChIKeyPWULVHYHVZUTFR-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.12
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 spiro[2.4]hept-5-ene?
The IUPAC name of spiro[2.4]hept-5-ene (CID 57429034) is spiro[2.4]hept-5-ene.
What is the SMILES notation for spiro[2.4]hept-5-ene?
The canonical SMILES for spiro[2.4]hept-5-ene is C1=CCC2(C1)CC2.
What is the InChIKey of spiro[2.4]hept-5-ene?
The InChIKey is PWULVHYHVZUTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2.
What are the key properties of spiro[2.4]hept-5-ene?
spiro[2.4]hept-5-ene has a molecular weight of 94.16 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.4]hept-5-ene is sourced from PubChem (CID 57429034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).