3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C12H22N2O2 — CID 131629235

IUPAC3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCC(C)(C)N1CC2(CCCNC2)OC1=O
InChIInChI=1S/C12H22N2O2/c1-4-11(2,3)14-9-12(16-10(14)15)6-5-7-13-8-12/h13H,4-9H2,1-3H3
InChIKeySABLELKAIBRQPX-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds2

About 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 131629235) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID131629235
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCC(C)(C)N1CC2(CCCNC2)OC1=O
InChIInChI=1S/C12H22N2O2/c1-4-11(2,3)14-9-12(16-10(14)15)6-5-7-13-8-12/h13H,4-9H2,1-3H3
InChIKeySABLELKAIBRQPX-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 141312603
3-(2-aminoethyl)-1-oxa-3,8-diazaspiro[5.5]undecan-2-one
CID 105466874
3-[3-[3-[4-(aminomethyl)phenyl]phenyl]pentan-3-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 68504642
(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
CID 86334414
3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 115067319
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 84781302
3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366
4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069925
(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070227
3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 84789780
5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one
CID 58245500

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 131629235) is 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCC(C)(C)N1CC2(CCCNC2)OC1=O.
What is the InChIKey of 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is SABLELKAIBRQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-11(2,3)14-9-12(16-10(14)15)6-5-7-13-8-12/h13H,4-9H2,1-3H3.
What are the key properties of 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131629235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).