5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one

C9H16N2O2 — CID 105441146

IUPAC5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
SMILESCC(C)(C)N1C(=O)OCC12CNC2
InChIInChI=1S/C9H16N2O2/c1-8(2,3)11-7(12)13-6-9(11)4-10-5-9/h10H,4-6H2,1-3H3
InChIKeyANTPMFJWMZTVLV-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds

About 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one

5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 105441146) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
PubChem CID105441146
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
SMILESCC(C)(C)N1C(=O)OCC12CNC2
InChIInChI=1S/C9H16N2O2/c1-8(2,3)11-7(12)13-6-9(11)4-10-5-9/h10H,4-6H2,1-3H3
InChIKeyANTPMFJWMZTVLV-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one (CID 105441146) is 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one is CC(C)(C)N1C(=O)OCC12CNC2.
What is the InChIKey of 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is ANTPMFJWMZTVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(2,3)11-7(12)13-6-9(11)4-10-5-9/h10H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 184.24 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 105441146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).