1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one

C11H20N2O2 — CID 83885816

IUPAC1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)N1C(=O)OCC12CCNCC2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)13-9(14)15-8-11(13)4-6-12-7-5-11/h12H,4-8H2,1-3H3
InChIKeyKWDIVZLINODBSM-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.36
Rot. Bonds

About 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one

1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 83885816) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
PubChem CID83885816
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)N1C(=O)OCC12CCNCC2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)13-9(14)15-8-11(13)4-6-12-7-5-11/h12H,4-8H2,1-3H3
InChIKeyKWDIVZLINODBSM-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-amino-4-(methoxymethyl)piperidine-1-carboxylate
CID 21882533
(4-Methoxymethylpiperidin-4-yl)carbamic acid tert-butyl ester
CID 67957499
tert-Butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 67991811
Tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 82380583
Tert-butyl 9-oxa-2,6-diazaspiro(4.5)decane-2-carboxylate
CID 82386804
Tert-butyl 9-oxa-2,6-diazaspiro(4.5)decane-6-carboxylate
CID 82386805
tert-Butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 84805339
3-Oxa-1,8-diazaspiro(4.5)decan-2-one hydrochloride
CID 75480642
Tert-butyl 3-(morpholin-3-yl)pyrrolidine-1-carboxylate
CID 82665350
3-Oxa-1,8-diazaspiro[4.5]decan-2-one
CID 22975681
1-(2,2,2-Trifluoroethyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 83897937
3-Tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 18931283

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one (CID 83885816) is 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one is CC(C)(C)N1C(=O)OCC12CCNCC2.
What is the InChIKey of 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KWDIVZLINODBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,3)13-9(14)15-8-11(13)4-6-12-7-5-11/h12H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 83885816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).