2-ethenyl-4-azaspiro[2.4]heptan-5-one

C8H11NO — CID 74322184

IUPAC2-ethenyl-4-azaspiro[2.4]heptan-5-one
SMILESC=CC1CC12CCC(=O)N2
InChIInChI=1S/C8H11NO/c1-2-6-5-8(6)4-3-7(10)9-8/h2,6H,1,3-5H2,(H,9,10)
InChIKeyHFSVXHAKWLMTHT-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.84
Rot. Bonds1

About 2-ethenyl-4-azaspiro[2.4]heptan-5-one

2-ethenyl-4-azaspiro[2.4]heptan-5-one (PubChem CID 74322184) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-ethenyl-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name2-ethenyl-4-azaspiro[2.4]heptan-5-one
PubChem CID74322184
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-ethenyl-4-azaspiro[2.4]heptan-5-one
SMILESC=CC1CC12CCC(=O)N2
InChIInChI=1S/C8H11NO/c1-2-6-5-8(6)4-3-7(10)9-8/h2,6H,1,3-5H2,(H,9,10)
InChIKeyHFSVXHAKWLMTHT-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.84
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 2-ethenyl-4-azaspiro[2.4]heptan-5-one?
The IUPAC name of 2-ethenyl-4-azaspiro[2.4]heptan-5-one (CID 74322184) is 2-ethenyl-4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for 2-ethenyl-4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for 2-ethenyl-4-azaspiro[2.4]heptan-5-one is C=CC1CC12CCC(=O)N2.
What is the InChIKey of 2-ethenyl-4-azaspiro[2.4]heptan-5-one?
The InChIKey is HFSVXHAKWLMTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-6-5-8(6)4-3-7(10)9-8/h2,6H,1,3-5H2,(H,9,10).
What are the key properties of 2-ethenyl-4-azaspiro[2.4]heptan-5-one?
2-ethenyl-4-azaspiro[2.4]heptan-5-one has a molecular weight of 137.18 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 74322184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).