3-methylidene-2-phenyl-2-azaspiro[3.4]octane

C14H17N — CID 166983687

IUPAC3-methylidene-2-phenyl-2-azaspiro[3.4]octane
SMILESC=C1N(c2ccccc2)CC12CCCC2
InChIInChI=1S/C14H17N/c1-12-14(9-5-6-10-14)11-15(12)13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2
InChIKeyVJIWSDCHZJCLLT-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.58
Rot. Bonds1

About 3-methylidene-2-phenyl-2-azaspiro[3.4]octane

3-methylidene-2-phenyl-2-azaspiro[3.4]octane (PubChem CID 166983687) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-methylidene-2-phenyl-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-methylidene-2-phenyl-2-azaspiro[3.4]octane
PubChem CID166983687
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-methylidene-2-phenyl-2-azaspiro[3.4]octane
SMILESC=C1N(c2ccccc2)CC12CCCC2
InChIInChI=1S/C14H17N/c1-12-14(9-5-6-10-14)11-15(12)13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2
InChIKeyVJIWSDCHZJCLLT-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methylidene-2-phenyl-2-azaspiro[3.4]octane 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 3-methylidene-2-phenyl-2-azaspiro[3.4]octane?
The IUPAC name of 3-methylidene-2-phenyl-2-azaspiro[3.4]octane (CID 166983687) is 3-methylidene-2-phenyl-2-azaspiro[3.4]octane.
What is the SMILES notation for 3-methylidene-2-phenyl-2-azaspiro[3.4]octane?
The canonical SMILES for 3-methylidene-2-phenyl-2-azaspiro[3.4]octane is C=C1N(c2ccccc2)CC12CCCC2.
What is the InChIKey of 3-methylidene-2-phenyl-2-azaspiro[3.4]octane?
The InChIKey is VJIWSDCHZJCLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-12-14(9-5-6-10-14)11-15(12)13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2.
What are the key properties of 3-methylidene-2-phenyl-2-azaspiro[3.4]octane?
3-methylidene-2-phenyl-2-azaspiro[3.4]octane has a molecular weight of 199.30 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-phenyl-2-azaspiro[3.4]octane is sourced from PubChem (CID 166983687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).