6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one

C6H8N2O2 — CID 55289376

IUPAC6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one
SMILESNC1=NC(=O)C2(CCC2)O1
InChIInChI=1S/C6H8N2O2/c7-5-8-4(9)6(10-5)2-1-3-6/h1-3H2,(H2,7,8,9)
InChIKeyBNAOUYJSVBWFSJ-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.22
Rot. Bonds

About 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one

6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one (PubChem CID 55289376) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one.

Molecular Properties

Compound Name6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one
PubChem CID55289376
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one
SMILESNC1=NC(=O)C2(CCC2)O1
InChIInChI=1S/C6H8N2O2/c7-5-8-4(9)6(10-5)2-1-3-6/h1-3H2,(H2,7,8,9)
InChIKeyBNAOUYJSVBWFSJ-UHFFFAOYSA-N
XLogP-0.22
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
The IUPAC name of 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one (CID 55289376) is 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one.
What is the SMILES notation for 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
The canonical SMILES for 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one is NC1=NC(=O)C2(CCC2)O1.
What is the InChIKey of 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
The InChIKey is BNAOUYJSVBWFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-5-8-4(9)6(10-5)2-1-3-6/h1-3H2,(H2,7,8,9).
What are the key properties of 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one has a molecular weight of 140.14 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-oxa-7-azaspiro[3.4]oct-6-en-8-one is sourced from PubChem (CID 55289376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).