6-methylidene-4-azaspiro[2.4]heptane;hydrochloride

C7H12ClN — CID 118989887

IUPAC6-methylidene-4-azaspiro[2.4]heptane;hydrochloride
SMILESC=C1CNC2(CC2)C1.Cl
InChIInChI=1S/C7H11N.ClH/c1-6-4-7(2-3-7)8-5-6;/h8H,1-5H2;1H
InChIKeyWWJOYQZKAIKMDP-UHFFFAOYSA-N
MW145.63 g/mol
LogP1.49
Rot. Bonds

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

6-methylidene-4-azaspiro[2.4]heptane;hydrochloride (PubChem CID 118989887) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is 6-methylidene-4-azaspiro[2.4]heptane;hydrochloride.

Molecular Properties

Compound Name6-methylidene-4-azaspiro[2.4]heptane;hydrochloride
PubChem CID118989887
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name6-methylidene-4-azaspiro[2.4]heptane;hydrochloride
SMILESC=C1CNC2(CC2)C1.Cl
InChIInChI=1S/C7H11N.ClH/c1-6-4-7(2-3-7)8-5-6;/h8H,1-5H2;1H
InChIKeyWWJOYQZKAIKMDP-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 51.49
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;hydrochloride?
The IUPAC name of 6-methylidene-4-azaspiro[2.4]heptane;hydrochloride (CID 118989887) is 6-methylidene-4-azaspiro[2.4]heptane;hydrochloride.
What is the SMILES notation for 6-methylidene-4-azaspiro[2.4]heptane;hydrochloride?
The canonical SMILES for 6-methylidene-4-azaspiro[2.4]heptane;hydrochloride is C=C1CNC2(CC2)C1.Cl.
What is the InChIKey of 6-methylidene-4-azaspiro[2.4]heptane;hydrochloride?
The InChIKey is WWJOYQZKAIKMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.ClH/c1-6-4-7(2-3-7)8-5-6;/h8H,1-5H2;1H.
What are the key properties of 6-methylidene-4-azaspiro[2.4]heptane;hydrochloride?
6-methylidene-4-azaspiro[2.4]heptane;hydrochloride has a molecular weight of 145.63 g/mol, XLogP of 1.49, 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;hydrochloride is sourced from PubChem (CID 118989887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).