4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C13H24N2O2 — CID 115067433

IUPAC4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)(C)CN1CC2(CCNCC2)OCC1=O
InChIInChI=1S/C13H24N2O2/c1-12(2,3)9-15-10-13(17-8-11(15)16)4-6-14-7-5-13/h14H,4-10H2,1-3H3
InChIKeyJMCXBTNBSBOUNS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 115067433) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID115067433
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)(C)CN1CC2(CCNCC2)OCC1=O
InChIInChI=1S/C13H24N2O2/c1-12(2,3)9-15-10-13(17-8-11(15)16)4-6-14-7-5-13/h14H,4-10H2,1-3H3
InChIKeyJMCXBTNBSBOUNS-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 75531160
4-(2-methylpropyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067514
6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one
CID 115068043
4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783632
4-cyclopropyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067488
3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 131262021
12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;2,2,2-trifluoroacetic acid
CID 118560861
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
2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 145297738
4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067498
4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 138039858

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 115067433) is 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)(C)CN1CC2(CCNCC2)OCC1=O.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JMCXBTNBSBOUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)9-15-10-13(17-8-11(15)16)4-6-14-7-5-13/h14H,4-10H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 240.35 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 115067433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).