6-methylidene-4-azaspiro[2.4]heptane

C7H11N — CID 118989888

IUPAC6-methylidene-4-azaspiro[2.4]heptane
SMILESC=C1CNC2(CC2)C1
InChIInChI=1S/C7H11N/c1-6-4-7(2-3-7)8-5-6/h8H,1-5H2
InChIKeyODVHDQBGCXHWFL-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.07
Rot. Bonds

About 6-methylidene-4-azaspiro[2.4]heptane

6-methylidene-4-azaspiro[2.4]heptane (PubChem CID 118989888) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 6-methylidene-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-methylidene-4-azaspiro[2.4]heptane
PubChem CID118989888
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name6-methylidene-4-azaspiro[2.4]heptane
SMILESC=C1CNC2(CC2)C1
InChIInChI=1S/C7H11N/c1-6-4-7(2-3-7)8-5-6/h8H,1-5H2
InChIKeyODVHDQBGCXHWFL-UHFFFAOYSA-N
XLogP1.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
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 6-methylidene-4-azaspiro[2.4]heptane?
The IUPAC name of 6-methylidene-4-azaspiro[2.4]heptane (CID 118989888) is 6-methylidene-4-azaspiro[2.4]heptane.
What is the SMILES notation for 6-methylidene-4-azaspiro[2.4]heptane?
The canonical SMILES for 6-methylidene-4-azaspiro[2.4]heptane is C=C1CNC2(CC2)C1.
What is the InChIKey of 6-methylidene-4-azaspiro[2.4]heptane?
The InChIKey is ODVHDQBGCXHWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-4-7(2-3-7)8-5-6/h8H,1-5H2.
What are the key properties of 6-methylidene-4-azaspiro[2.4]heptane?
6-methylidene-4-azaspiro[2.4]heptane has a molecular weight of 109.17 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-azaspiro[2.4]heptane is sourced from PubChem (CID 118989888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).