8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione

C10H11NO3 — CID 138740289

IUPAC8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCOC1=CC(=O)C2(C=C1)CCC(=O)N2
InChIInChI=1S/C10H11NO3/c1-14-7-2-4-10(8(12)6-7)5-3-9(13)11-10/h2,4,6H,3,5H2,1H3,(H,11,13)
InChIKeyHIAHNGLEMOOZEB-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.30
Rot. Bonds1

About 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione

8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione (PubChem CID 138740289) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione.

Molecular Properties

Compound Name8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
PubChem CID138740289
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCOC1=CC(=O)C2(C=C1)CCC(=O)N2
InChIInChI=1S/C10H11NO3/c1-14-7-2-4-10(8(12)6-7)5-3-9(13)11-10/h2,4,6H,3,5H2,1H3,(H,11,13)
InChIKeyHIAHNGLEMOOZEB-UHFFFAOYSA-N
XLogP0.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
The IUPAC name of 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione (CID 138740289) is 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione.
What is the SMILES notation for 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
The canonical SMILES for 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione is COC1=CC(=O)C2(C=C1)CCC(=O)N2.
What is the InChIKey of 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
The InChIKey is HIAHNGLEMOOZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-7-2-4-10(8(12)6-7)5-3-9(13)11-10/h2,4,6H,3,5H2,1H3,(H,11,13).
What are the key properties of 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione has a molecular weight of 193.20 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione is sourced from PubChem (CID 138740289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).