(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C12H22N2O2 — CID 129070227

IUPAC(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1C[C@@]2(CCCNCC2)O[C@@H](C)C1=O
InChIInChI=1S/C12H22N2O2/c1-3-14-9-12(16-10(2)11(14)15)5-4-7-13-8-6-12/h10,13H,3-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyAYKCSZCWMXXHFC-JQWIXIFHSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds1

About (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 129070227) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID129070227
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1C[C@@]2(CCCNCC2)O[C@@H](C)C1=O
InChIInChI=1S/C12H22N2O2/c1-3-14-9-12(16-10(2)11(14)15)5-4-7-13-8-6-12/h10,13H,3-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyAYKCSZCWMXXHFC-JQWIXIFHSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069925
12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one
CID 129053663
(2S)-9-(3,3-dimethylbutyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332875
9-(3,3-dimethylbutyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332876
(2S)-9-(2,2-dimethylpropyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374785
(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 137370776
4-[[(2S,6R)-4-ethyl-2-methyl-3-oxo-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]methyl]benzonitrile
CID 129070049
8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 137370665
4-(2-methylpropyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067514
2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 137370531
(2R)-9-[2-(2,5-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 129070227) is (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CCN1C[C@@]2(CCCNCC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is AYKCSZCWMXXHFC-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-14-9-12(16-10(2)11(14)15)5-4-7-13-8-6-12/h10,13H,3-9H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 129070227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).