6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one

C9H15N3O2 — CID 82998268

IUPAC6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one
SMILESCC(C)(C)NC1=NC2(COC2)C(=O)N1
InChIInChI=1S/C9H15N3O2/c1-8(2,3)11-7-10-6(13)9(12-7)4-14-5-9/h4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyQURJURIEPODIPI-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.37
Rot. Bonds

About 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one

6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one (PubChem CID 82998268) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one.

Molecular Properties

Compound Name6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one
PubChem CID82998268
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one
SMILESCC(C)(C)NC1=NC2(COC2)C(=O)N1
InChIInChI=1S/C9H15N3O2/c1-8(2,3)11-7-10-6(13)9(12-7)4-14-5-9/h4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyQURJURIEPODIPI-UHFFFAOYSA-N
XLogP-0.37
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one?
The IUPAC name of 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one (CID 82998268) is 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one.
What is the SMILES notation for 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one?
The canonical SMILES for 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one is CC(C)(C)NC1=NC2(COC2)C(=O)N1.
What is the InChIKey of 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one?
The InChIKey is QURJURIEPODIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-8(2,3)11-7-10-6(13)9(12-7)4-14-5-9/h4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one?
6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one has a molecular weight of 197.24 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-oxa-5,7-diazaspiro[3.4]oct-5-en-8-one is sourced from PubChem (CID 82998268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).