6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one

C6H9N3O — CID 82997365

IUPAC6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one
SMILESNC1=NC2(CCC2)C(=O)N1
InChIInChI=1S/C6H9N3O/c7-5-8-4(10)6(9-5)2-1-3-6/h1-3H2,(H3,7,8,9,10)
InChIKeyRGIRSFYETYUIEY-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.65
Rot. Bonds

About 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one

6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one (PubChem CID 82997365) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one.

Molecular Properties

Compound Name6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one
PubChem CID82997365
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one
SMILESNC1=NC2(CCC2)C(=O)N1
InChIInChI=1S/C6H9N3O/c7-5-8-4(10)6(9-5)2-1-3-6/h1-3H2,(H3,7,8,9,10)
InChIKeyRGIRSFYETYUIEY-UHFFFAOYSA-N
XLogP-0.65
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one?
The IUPAC name of 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one (CID 82997365) is 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one.
What is the SMILES notation for 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one?
The canonical SMILES for 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one is NC1=NC2(CCC2)C(=O)N1.
What is the InChIKey of 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one?
The InChIKey is RGIRSFYETYUIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-5-8-4(10)6(9-5)2-1-3-6/h1-3H2,(H3,7,8,9,10).
What are the key properties of 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one?
6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one has a molecular weight of 139.16 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,7-diazaspiro[3.4]oct-5-en-8-one is sourced from PubChem (CID 82997365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).