6-ethenyl-4-azaspiro[2.4]heptane

C8H13N — CID 145003259

IUPAC6-ethenyl-4-azaspiro[2.4]heptane
SMILESC=CC1CNC2(CC2)C1
InChIInChI=1S/C8H13N/c1-2-7-5-8(3-4-8)9-6-7/h2,7,9H,1,3-6H2
InChIKeyKSRKHWVWLCHARW-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.31
Rot. Bonds1

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

6-ethenyl-4-azaspiro[2.4]heptane (PubChem CID 145003259) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 6-ethenyl-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-ethenyl-4-azaspiro[2.4]heptane
PubChem CID145003259
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name6-ethenyl-4-azaspiro[2.4]heptane
SMILESC=CC1CNC2(CC2)C1
InChIInChI=1S/C8H13N/c1-2-7-5-8(3-4-8)9-6-7/h2,7,9H,1,3-6H2
InChIKeyKSRKHWVWLCHARW-UHFFFAOYSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-2,2-dimethylpyrrolidine
CID 145126401
(6S)-4-azaspiro[2.4]heptan-6-ol;hydrochloride
CID 162342438
6-methyl-4-azaspiro[2.4]heptane;hydrochloride
CID 71744005
(6R)-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octane
CID 70228754
4-ethenyl-1,1,2,2-tetramethylcyclopentane
CID 143472488
3-methyl-1-azaspiro[4.5]decane
CID 154321792
6-phenyl-4-azaspiro[2.4]heptane
CID 68626845
1-azaspiro[5.5]undecane-3-carbaldehyde
CID 123930535
(3R)-3-ethenylpyrrolidine
CID 641531
methyl 4-azaspiro[2.4]heptane-6-carboxylate
CID 105430307
5-azaspiro[3.4]octan-7-ylmethanol
CID 71743935
6-methylidene-4-azaspiro[2.4]heptane;hydrochloride
CID 118989887

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-azaspiro[2.4]heptane?
The IUPAC name of 6-ethenyl-4-azaspiro[2.4]heptane (CID 145003259) is 6-ethenyl-4-azaspiro[2.4]heptane.
What is the SMILES notation for 6-ethenyl-4-azaspiro[2.4]heptane?
The canonical SMILES for 6-ethenyl-4-azaspiro[2.4]heptane is C=CC1CNC2(CC2)C1.
What is the InChIKey of 6-ethenyl-4-azaspiro[2.4]heptane?
The InChIKey is KSRKHWVWLCHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-7-5-8(3-4-8)9-6-7/h2,7,9H,1,3-6H2.
What are the key properties of 6-ethenyl-4-azaspiro[2.4]heptane?
6-ethenyl-4-azaspiro[2.4]heptane has a molecular weight of 123.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-azaspiro[2.4]heptane is sourced from PubChem (CID 145003259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).