(5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one

C10H17NO — CID 67559872

IUPAC(5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one
SMILESCC[C@H]1CC[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C10H17NO/c1-2-8-3-4-10(5-8)6-9(12)11-7-10/h8H,2-7H2,1H3,(H,11,12)/t8-,10-/m0/s1
InChIKeyKYBRMJJQYJHPHD-WPRPVWTQSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds1

About (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one

(5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one (PubChem CID 67559872) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one
PubChem CID67559872
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one
SMILESCC[C@H]1CC[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C10H17NO/c1-2-8-3-4-10(5-8)6-9(12)11-7-10/h8H,2-7H2,1H3,(H,11,12)/t8-,10-/m0/s1
InChIKeyKYBRMJJQYJHPHD-WPRPVWTQSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one (CID 67559872) is (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one is CC[C@H]1CC[C@]2(CNC(=O)C2)C1.
What is the InChIKey of (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one?
The InChIKey is KYBRMJJQYJHPHD-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-8-3-4-10(5-8)6-9(12)11-7-10/h8H,2-7H2,1H3,(H,11,12)/t8-,10-/m0/s1.
What are the key properties of (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one?
(5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-8-ethyl-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 67559872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).