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

C11H20N2O2 — CID 155396955

IUPAC8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)N1CCC2(CC1)COC(=O)N2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)13-6-4-11(5-7-13)8-15-9(14)12-11/h4-8H2,1-3H3,(H,12,14)
InChIKeyIBIGJGUWEXDJKL-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.36
Rot. Bonds

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

8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 155396955) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
PubChem CID155396955
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)N1CCC2(CC1)COC(=O)N2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)13-6-4-11(5-7-13)8-15-9(14)12-11/h4-8H2,1-3H3,(H,12,14)
InChIKeyIBIGJGUWEXDJKL-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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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one (CID 155396955) is 8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one is CC(C)(C)N1CCC2(CC1)COC(=O)N2.
What is the InChIKey of 8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IBIGJGUWEXDJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,3)13-6-4-11(5-7-13)8-15-9(14)12-11/h4-8H2,1-3H3,(H,12,14).
What are the key properties of 8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
8-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 8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155396955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).