(4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

C12H15NO4 — CID 101235404

IUPAC(4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=C[C@@]12[C@H](C)CC(=O)N2OC
InChIInChI=1S/C12H15NO4/c1-8-6-11(15)13(17-3)12(8)5-4-9(14)7-10(12)16-2/h4-5,7-8H,6H2,1-3H3/t8-,12-/m1/s1
InChIKeyGKVAHLOYNLWRFU-PRHODGIISA-N
MW237.25 g/mol
LogP0.82
Rot. Bonds2

About (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

(4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 101235404) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name(4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID101235404
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=C[C@@]12[C@H](C)CC(=O)N2OC
InChIInChI=1S/C12H15NO4/c1-8-6-11(15)13(17-3)12(8)5-4-9(14)7-10(12)16-2/h4-5,7-8H,6H2,1-3H3/t8-,12-/m1/s1
InChIKeyGKVAHLOYNLWRFU-PRHODGIISA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione with MolForge

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Related Compounds

6-Methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 138740987
1,6-Dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11601011
(3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11680713
8-Methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione
CID 73294383
(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

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 101235404) is (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is COC1=CC(=O)C=C[C@@]12[C@H](C)CC(=O)N2OC.
What is the InChIKey of (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is GKVAHLOYNLWRFU-PRHODGIISA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-6-11(15)13(17-3)12(8)5-4-9(14)7-10(12)16-2/h4-5,7-8H,6H2,1-3H3/t8-,12-/m1/s1.
What are the key properties of (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
(4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 237.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 101235404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).