8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione

C13H21NO3 — CID 114239595

IUPAC8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione
SMILESCC(C)(C)C1CCCC2(CC1)OC(=O)NC2=O
InChIInChI=1S/C13H21NO3/c1-12(2,3)9-5-4-7-13(8-6-9)10(15)14-11(16)17-13/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyFLQODVPUBOPKAQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.62
Rot. Bonds

About 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione

8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione (PubChem CID 114239595) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione
PubChem CID114239595
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione
SMILESCC(C)(C)C1CCCC2(CC1)OC(=O)NC2=O
InChIInChI=1S/C13H21NO3/c1-12(2,3)9-5-4-7-13(8-6-9)10(15)14-11(16)17-13/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyFLQODVPUBOPKAQ-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione (CID 114239595) is 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione is CC(C)(C)C1CCCC2(CC1)OC(=O)NC2=O.
What is the InChIKey of 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione?
The InChIKey is FLQODVPUBOPKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12(2,3)9-5-4-7-13(8-6-9)10(15)14-11(16)17-13/h9H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione?
8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione has a molecular weight of 239.31 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1-oxa-3-azaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 114239595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).