(1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate

C12H13NO5 — CID 101444597

IUPAC(1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate
SMILESCON1C(=O)CCC12C=CC(=O)C(OC(C)=O)=C2
InChIInChI=1S/C12H13NO5/c1-8(14)18-10-7-12(5-3-9(10)15)6-4-11(16)13(12)17-2/h3,5,7H,4,6H2,1-2H3
InChIKeyFQJRTFPVAXEMGE-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.49
Rot. Bonds2

About (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate

(1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate (PubChem CID 101444597) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate.

Molecular Properties

Compound Name(1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate
PubChem CID101444597
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name(1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate
SMILESCON1C(=O)CCC12C=CC(=O)C(OC(C)=O)=C2
InChIInChI=1S/C12H13NO5/c1-8(14)18-10-7-12(5-3-9(10)15)6-4-11(16)13(12)17-2/h3,5,7H,4,6H2,1-2H3
InChIKeyFQJRTFPVAXEMGE-UHFFFAOYSA-N
XLogP0.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,7-Dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101401535
1,7-Dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 102072541
1,7,9-Trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 102072542

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate?
The IUPAC name of (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate (CID 101444597) is (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate.
What is the SMILES notation for (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate?
The canonical SMILES for (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate is CON1C(=O)CCC12C=CC(=O)C(OC(C)=O)=C2.
What is the InChIKey of (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate?
The InChIKey is FQJRTFPVAXEMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-8(14)18-10-7-12(5-3-9(10)15)6-4-11(16)13(12)17-2/h3,5,7H,4,6H2,1-2H3.
What are the key properties of (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate?
(1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate has a molecular weight of 251.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate is sourced from PubChem (CID 101444597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).