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

C10H11NO3 — CID 138740987

IUPAC6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=CC12CCC(=O)N2
InChIInChI=1S/C10H11NO3/c1-14-8-6-7(12)2-4-10(8)5-3-9(13)11-10/h2,4,6H,3,5H2,1H3,(H,11,13)
InChIKeyVWUDOEPOMUMADA-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.30
Rot. Bonds1

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

6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 138740987) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID138740987
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=CC12CCC(=O)N2
InChIInChI=1S/C10H11NO3/c1-14-8-6-7(12)2-4-10(8)5-3-9(13)11-10/h2,4,6H,3,5H2,1H3,(H,11,13)
InChIKeyVWUDOEPOMUMADA-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 6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 138740987) is 6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is COC1=CC(=O)C=CC12CCC(=O)N2.
What is the InChIKey of 6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is VWUDOEPOMUMADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-8-6-7(12)2-4-10(8)5-3-9(13)11-10/h2,4,6H,3,5H2,1H3,(H,11,13).
What are the key properties of 6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-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 6-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 138740987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).