3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C12H22N2O2 — CID 84791054

IUPAC3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCC(C)(C)N1CC2(CCCNCC2)OC1=O
InChIInChI=1S/C12H22N2O2/c1-11(2,3)14-9-12(16-10(14)15)5-4-7-13-8-6-12/h13H,4-9H2,1-3H3
InChIKeyRYHUTVANLOYVKQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds

About 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 84791054) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID84791054
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCC(C)(C)N1CC2(CCCNCC2)OC1=O
InChIInChI=1S/C12H22N2O2/c1-11(2,3)14-9-12(16-10(14)15)5-4-7-13-8-6-12/h13H,4-9H2,1-3H3
InChIKeyRYHUTVANLOYVKQ-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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

Analyze 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-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 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 84791054) is 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is CC(C)(C)N1CC2(CCCNCC2)OC1=O.
What is the InChIKey of 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is RYHUTVANLOYVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)14-9-12(16-10(14)15)5-4-7-13-8-6-12/h13H,4-9H2,1-3H3.
What are the key properties of 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 84791054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).