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

C8H13NO — CID 138967563

IUPAC(2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one
SMILESCC[C@H]1C[C@@]12CCC(=O)N2
InChIInChI=1S/C8H13NO/c1-2-6-5-8(6)4-3-7(10)9-8/h6H,2-5H2,1H3,(H,9,10)/t6-,8-/m0/s1
InChIKeyVYXZNPOYGUYZQL-XPUUQOCRSA-N
MW139.19 g/mol
LogP0.80
Rot. Bonds1

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

(2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one (PubChem CID 138967563) has the molecular formula C8H13NO and a molecular weight of 139.19 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one
PubChem CID138967563
Molecular FormulaC8H13NO
Molecular Weight139.19 g/mol
Exact Mass139.10
IUPAC Name(2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one
SMILESCC[C@H]1C[C@@]12CCC(=O)N2
InChIInChI=1S/C8H13NO/c1-2-6-5-8(6)4-3-7(10)9-8/h6H,2-5H2,1H3,(H,9,10)/t6-,8-/m0/s1
InChIKeyVYXZNPOYGUYZQL-XPUUQOCRSA-N
XLogP0.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity178

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3S)-2-ethyl-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

Related Compounds

1-Azaspiro(4.5)decan-2-one
CID 247994
4-Azaspiro(2.4)heptan-5-one
CID 10678200
2-Cyclohexyl-2-methyl-3,4-dihydro-2H-pyrrol-5-ol
CID 201514
2-Cyclohexyl-2-ethyl-3,4-dihydro-2H-pyrrol-5-ol
CID 201515
2-Pyrrolidinone, 5-cyclohexyl-5-propyl-
CID 201516
5-Azaspiro[3.4]octan-6-one
CID 15566994
3-(2-Amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one
CID 140916776
10-Azadispiro(2.1.3^(5).2^(3))decan-9-one
CID 132388100
3-Butylpyrrolidine-2,5-dione
CID 14694508
(5R)-5-ethyl-5-methylpyrrolidin-2-one
CID 102383609
3-Methyl-1-azaspiro[4.5]decan-2-one
CID 10442068
2-Ethyl-4-azaspiro[2.4]heptan-5-one
CID 12966312

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one?
The IUPAC name of (2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one (CID 138967563) is (2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for (2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for (2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one is CC[C@H]1C[C@@]12CCC(=O)N2.
What is the InChIKey of (2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one?
The InChIKey is VYXZNPOYGUYZQL-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-6-5-8(6)4-3-7(10)9-8/h6H,2-5H2,1H3,(H,9,10)/t6-,8-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one?
(2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one has a molecular weight of 139.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 138967563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).