5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene

C8H11N — CID 163549767

IUPAC5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene
SMILESC=C1CC12CCC(C)=N2
InChIInChI=1S/C8H11N/c1-6-5-8(6)4-3-7(2)9-8/h1,3-5H2,2H3
InChIKeyFICCOVYOHSTFPX-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.94
Rot. Bonds

About 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene

5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene (PubChem CID 163549767) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene.

Molecular Properties

Compound Name5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene
PubChem CID163549767
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene
SMILESC=C1CC12CCC(C)=N2
InChIInChI=1S/C8H11N/c1-6-5-8(6)4-3-7(2)9-8/h1,3-5H2,2H3
InChIKeyFICCOVYOHSTFPX-UHFFFAOYSA-N
XLogP1.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene?
The IUPAC name of 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene (CID 163549767) is 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene.
What is the SMILES notation for 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene?
The canonical SMILES for 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene is C=C1CC12CCC(C)=N2.
What is the InChIKey of 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene?
The InChIKey is FICCOVYOHSTFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-5-8(6)4-3-7(2)9-8/h1,3-5H2,2H3.
What are the key properties of 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene?
5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene has a molecular weight of 121.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-4-azaspiro[2.4]hept-4-ene is sourced from PubChem (CID 163549767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).