2-methyl-6-methylidenespiro[2.4]heptane

C9H14 — CID 90977402

IUPAC2-methyl-6-methylidenespiro[2.4]heptane
SMILESC=C1CCC2(C1)CC2C
InChIInChI=1S/C9H14/c1-7-3-4-9(5-7)6-8(9)2/h8H,1,3-6H2,2H3
InChIKeyIXWKUJULBLYFAO-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 2-methyl-6-methylidenespiro[2.4]heptane

2-methyl-6-methylidenespiro[2.4]heptane (PubChem CID 90977402) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-methyl-6-methylidenespiro[2.4]heptane.

Molecular Properties

Compound Name2-methyl-6-methylidenespiro[2.4]heptane
PubChem CID90977402
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-methyl-6-methylidenespiro[2.4]heptane
SMILESC=C1CCC2(C1)CC2C
InChIInChI=1S/C9H14/c1-7-3-4-9(5-7)6-8(9)2/h8H,1,3-6H2,2H3
InChIKeyIXWKUJULBLYFAO-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-6-methylidenespiro[2.4]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylidenespiro[2.4]heptane?
The IUPAC name of 2-methyl-6-methylidenespiro[2.4]heptane (CID 90977402) is 2-methyl-6-methylidenespiro[2.4]heptane.
What is the SMILES notation for 2-methyl-6-methylidenespiro[2.4]heptane?
The canonical SMILES for 2-methyl-6-methylidenespiro[2.4]heptane is C=C1CCC2(C1)CC2C.
What is the InChIKey of 2-methyl-6-methylidenespiro[2.4]heptane?
The InChIKey is IXWKUJULBLYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-7-3-4-9(5-7)6-8(9)2/h8H,1,3-6H2,2H3.
What are the key properties of 2-methyl-6-methylidenespiro[2.4]heptane?
2-methyl-6-methylidenespiro[2.4]heptane has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylidenespiro[2.4]heptane is sourced from PubChem (CID 90977402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).