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

C11H13NO4 — CID 101401535

IUPAC1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC2(C=CC1=O)CCC(=O)N2OC
InChIInChI=1S/C11H13NO4/c1-15-9-7-11(5-3-8(9)13)6-4-10(14)12(11)16-2/h3,5,7H,4,6H2,1-2H3
InChIKeyJOKBDTYTGWPVKW-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.58
Rot. Bonds2

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

1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 101401535) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID101401535
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC2(C=CC1=O)CCC(=O)N2OC
InChIInChI=1S/C11H13NO4/c1-15-9-7-11(5-3-8(9)13)6-4-10(14)12(11)16-2/h3,5,7H,4,6H2,1-2H3
InChIKeyJOKBDTYTGWPVKW-UHFFFAOYSA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

7-Fluoro-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11031120
6-Fluoro-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11106657
1-Methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11298476
1-Methoxy-7-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11031019
7-Methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 139312600
7,9-Dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 150187772
1,6-Dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11601011
7-Acetyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 49818310
(3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235405
(1-Methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate
CID 101444597
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 1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 101401535) is 1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is COC1=CC2(C=CC1=O)CCC(=O)N2OC.
What is the InChIKey of 1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is JOKBDTYTGWPVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-9-7-11(5-3-8(9)13)6-4-10(14)12(11)16-2/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 223.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 101401535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).