(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one

C9H16N2O2 — CID 82406616

IUPAC(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1NC2(CCCOC2)CNC1=O
InChIInChI=1S/C9H16N2O2/c1-7-8(12)10-5-9(11-7)3-2-4-13-6-9/h7,11H,2-6H2,1H3,(H,10,12)/t7-,9?/m0/s1
InChIKeyYKKPPKBEMDAQSA-JAVCKPHESA-N
MW184.24 g/mol
LogP-0.36
Rot. Bonds

About (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one

(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one (PubChem CID 82406616) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one
PubChem CID82406616
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1NC2(CCCOC2)CNC1=O
InChIInChI=1S/C9H16N2O2/c1-7-8(12)10-5-9(11-7)3-2-4-13-6-9/h7,11H,2-6H2,1H3,(H,10,12)/t7-,9?/m0/s1
InChIKeyYKKPPKBEMDAQSA-JAVCKPHESA-N
XLogP-0.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-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)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one (CID 82406616) is (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one is C[C@@H]1NC2(CCCOC2)CNC1=O.
What is the InChIKey of (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one?
The InChIKey is YKKPPKBEMDAQSA-JAVCKPHESA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-8(12)10-5-9(11-7)3-2-4-13-6-9/h7,11H,2-6H2,1H3,(H,10,12)/t7-,9?/m0/s1.
What are the key properties of (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one?
(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one has a molecular weight of 184.24 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 82406616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).