7-methylidenespiro[2.4]heptane

C8H12 — CID 564527

IUPAC7-methylidenespiro[2.4]heptane
SMILESC=C1CCCC12CC2
InChIInChI=1S/C8H12/c1-7-3-2-4-8(7)5-6-8/h1-6H2
InChIKeyNGEKLJYHYUFWSQ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.51
Rot. Bonds

About 7-methylidenespiro[2.4]heptane

7-methylidenespiro[2.4]heptane (PubChem CID 564527) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 7-methylidenespiro[2.4]heptane.

Molecular Properties

Compound Name7-methylidenespiro[2.4]heptane
PubChem CID564527
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name7-methylidenespiro[2.4]heptane
SMILESC=C1CCCC12CC2
InChIInChI=1S/C8H12/c1-7-3-2-4-8(7)5-6-8/h1-6H2
InChIKeyNGEKLJYHYUFWSQ-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.51
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 7-methylidenespiro[2.4]heptane?
The IUPAC name of 7-methylidenespiro[2.4]heptane (CID 564527) is 7-methylidenespiro[2.4]heptane.
What is the SMILES notation for 7-methylidenespiro[2.4]heptane?
The canonical SMILES for 7-methylidenespiro[2.4]heptane is C=C1CCCC12CC2.
What is the InChIKey of 7-methylidenespiro[2.4]heptane?
The InChIKey is NGEKLJYHYUFWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-7-3-2-4-8(7)5-6-8/h1-6H2.
What are the key properties of 7-methylidenespiro[2.4]heptane?
7-methylidenespiro[2.4]heptane has a molecular weight of 108.18 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidenespiro[2.4]heptane is sourced from PubChem (CID 564527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).