8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one

C12H22N2O2 — CID 59114455

IUPAC8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)CN1CCC2(CC1)COC(=O)N2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)8-14-6-4-12(5-7-14)9-16-10(15)13-12/h4-9H2,1-3H3,(H,13,15)
InChIKeyLFUBOEGPOFCBOA-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds1

About 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one

8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 59114455) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
PubChem CID59114455
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)CN1CCC2(CC1)COC(=O)N2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)8-14-6-4-12(5-7-14)9-16-10(15)13-12/h4-9H2,1-3H3,(H,13,15)
InChIKeyLFUBOEGPOFCBOA-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one (CID 59114455) is 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one is CC(C)(C)CN1CCC2(CC1)COC(=O)N2.
What is the InChIKey of 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LFUBOEGPOFCBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)8-14-6-4-12(5-7-14)9-16-10(15)13-12/h4-9H2,1-3H3,(H,13,15).
What are the key properties of 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 59114455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).