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

C8H13NO — CID 138967641

IUPAC(2R,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+/m1/s1
InChIKeyVYXZNPOYGUYZQL-SVRRBLITSA-N
MW139.20 g/mol
LogP1.07
Rot. Bonds1

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

(2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one (PubChem CID 138967641) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one
PubChem CID138967641
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2R,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+/m1/s1
InChIKeyVYXZNPOYGUYZQL-SVRRBLITSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one?
The IUPAC name of (2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one (CID 138967641) is (2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for (2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for (2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one is CC[C@@H]1C[C@@]12CCC(=O)N2.
What is the InChIKey of (2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one?
The InChIKey is VYXZNPOYGUYZQL-SVRRBLITSA-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+/m1/s1.
What are the key properties of (2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one?
(2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 138967641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).