9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one

C12H22N2O2 — CID 155396954

IUPAC9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)(C)N1CCC2(CC1)CNC(=O)OC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)14-6-4-12(5-7-14)8-13-10(15)16-9-12/h4-9H2,1-3H3,(H,13,15)
InChIKeyAGCREJFUUPILAT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds

About 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155396954) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155396954
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)(C)N1CCC2(CC1)CNC(=O)OC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)14-6-4-12(5-7-14)8-13-10(15)16-9-12/h4-9H2,1-3H3,(H,13,15)
InChIKeyAGCREJFUUPILAT-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155396954) is 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)(C)N1CCC2(CC1)CNC(=O)OC2.
What is the InChIKey of 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AGCREJFUUPILAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)14-6-4-12(5-7-14)8-13-10(15)16-9-12/h4-9H2,1-3H3,(H,13,15).
What are the key properties of 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 226.32 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155396954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).