(2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one

C8H11NO — CID 24809348

IUPAC(2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one
SMILESC=C[C@@H]1C[C@@]12CCC(=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)/t6-,8+/m1/s1
InChIKeyHFSVXHAKWLMTHT-SVRRBLITSA-N
MW137.18 g/mol
LogP0.84
Rot. Bonds1

About (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one

(2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one (PubChem CID 24809348) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name(2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one
PubChem CID24809348
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one
SMILESC=C[C@@H]1C[C@@]12CCC(=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)/t6-,8+/m1/s1
InChIKeyHFSVXHAKWLMTHT-SVRRBLITSA-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'}

Analyze (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one?
The IUPAC name of (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one (CID 24809348) is (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one is C=C[C@@H]1C[C@@]12CCC(=O)N2.
What is the InChIKey of (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one?
The InChIKey is HFSVXHAKWLMTHT-SVRRBLITSA-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)/t6-,8+/m1/s1.
What are the key properties of (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one?
(2S,3S)-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 (2S,3S)-2-ethenyl-4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 24809348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).