(3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

C12H15NO4 — CID 101235405

IUPAC(3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=C[C@]12C[C@H](C)C(=O)N2OC
InChIInChI=1S/C12H15NO4/c1-8-7-12(13(17-3)11(8)15)5-4-9(14)6-10(12)16-2/h4-6,8H,7H2,1-3H3/t8-,12-/m0/s1
InChIKeyBNMQUCOILVOOLN-UFBFGSQYSA-N
MW237.25 g/mol
LogP0.82
Rot. Bonds2

About (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

(3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 101235405) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name(3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID101235405
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=C[C@]12C[C@H](C)C(=O)N2OC
InChIInChI=1S/C12H15NO4/c1-8-7-12(13(17-3)11(8)15)5-4-9(14)6-10(12)16-2/h4-6,8H,7H2,1-3H3/t8-,12-/m0/s1
InChIKeyBNMQUCOILVOOLN-UFBFGSQYSA-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 (3S,5R)-1,6-dimethoxy-3-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
(4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235404
(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 (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 101235405) is (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is COC1=CC(=O)C=C[C@]12C[C@H](C)C(=O)N2OC.
What is the InChIKey of (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is BNMQUCOILVOOLN-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-7-12(13(17-3)11(8)15)5-4-9(14)6-10(12)16-2/h4-6,8H,7H2,1-3H3/t8-,12-/m0/s1.
What are the key properties of (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
(3S,5R)-1,6-dimethoxy-3-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 (3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 101235405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).