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

C11H20N2O2 — CID 18931283

IUPAC3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)N1CC2(CCNCC2)OC1=O
InChIInChI=1S/C11H20N2O2/c1-10(2,3)13-8-11(15-9(13)14)4-6-12-7-5-11/h12H,4-8H2,1-3H3
InChIKeyUQUUXMDHTRJMLP-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.36
Rot. Bonds

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

3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 18931283) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID18931283
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)N1CC2(CCNCC2)OC1=O
InChIInChI=1S/C11H20N2O2/c1-10(2,3)13-8-11(15-9(13)14)4-6-12-7-5-11/h12H,4-8H2,1-3H3
InChIKeyUQUUXMDHTRJMLP-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 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 7062127
tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylate
CID 23282900
Tert-butyl 6-oxa-2,9-diazaspiro(4.5)decane-9-carboxylate
CID 23548219
tert-Butyl 1,8-diazaspiro(4.5)decane-8-carboxylate
CID 25212666
tert-Butyl 1,8-diazaspiro(4.5)decane-1-carboxylate
CID 34178602
tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 34178604
tert-Butyl 1,7-diazaspiro[4.5]decane-7-carboxylate
CID 42614152
3-Methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944312
1-Oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944313
tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate
CID 50988935
tert-Butyl 4-(aminomethyl)-4-methoxypiperidine-1-carboxylate
CID 53399259
Tert-butyl 4-methoxy-4-((methylamino)methyl)piperidine-1-carboxylate
CID 58906435

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 18931283) is 3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)(C)N1CC2(CCNCC2)OC1=O.
What is the InChIKey of 3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UQUUXMDHTRJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,3)13-8-11(15-9(13)14)4-6-12-7-5-11/h12H,4-8H2,1-3H3.
What are the key properties of 3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-tert-butyl-1-oxa-3,8-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 3-tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 18931283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).