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

C11H13NO4 — CID 11601011

IUPAC1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=CC12CCC(=O)N2OC
InChIInChI=1S/C11H13NO4/c1-15-9-7-8(13)3-5-11(9)6-4-10(14)12(11)16-2/h3,5,7H,4,6H2,1-2H3
InChIKeyCSYXVDSALQFDDA-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.58
Rot. Bonds2

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

1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 11601011) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID11601011
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=CC12CCC(=O)N2OC
InChIInChI=1S/C11H13NO4/c1-15-9-7-8(13)3-5-11(9)6-4-10(14)12(11)16-2/h3,5,7H,4,6H2,1-2H3
InChIKeyCSYXVDSALQFDDA-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

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Related Compounds

6-Methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 138740987
(3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11680713
(4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235404
(3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235405
(4R,5R)-4-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235406
(3S,5R)-3-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235407
1,7-Dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101401535

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 11601011) is 1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is COC1=CC(=O)C=CC12CCC(=O)N2OC.
What is the InChIKey of 1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is CSYXVDSALQFDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-9-7-8(13)3-5-11(9)6-4-10(14)12(11)16-2/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
1,6-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 1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 11601011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).