6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one

C7H10N2O2 — CID 103565792

IUPAC6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one
SMILESCC1CC2(C1)OC(N)=NC2=O
InChIInChI=1S/C7H10N2O2/c1-4-2-7(3-4)5(10)9-6(8)11-7/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyQMJBRBYEPWOPJT-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.03
Rot. Bonds

About 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one

6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one (PubChem CID 103565792) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one.

Molecular Properties

Compound Name6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one
PubChem CID103565792
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one
SMILESCC1CC2(C1)OC(N)=NC2=O
InChIInChI=1S/C7H10N2O2/c1-4-2-7(3-4)5(10)9-6(8)11-7/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyQMJBRBYEPWOPJT-UHFFFAOYSA-N
XLogP0.03
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
The IUPAC name of 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one (CID 103565792) is 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one.
What is the SMILES notation for 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
The canonical SMILES for 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one is CC1CC2(C1)OC(N)=NC2=O.
What is the InChIKey of 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
The InChIKey is QMJBRBYEPWOPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-2-7(3-4)5(10)9-6(8)11-7/h4H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one has a molecular weight of 154.17 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one is sourced from PubChem (CID 103565792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).