(4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione

C11H13NO3 — CID 101235410

IUPAC(4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCON1C(=O)C[C@@H](C)[C@@]12C=CC=CC2=O
InChIInChI=1S/C11H13NO3/c1-8-7-10(14)12(15-2)11(8)6-4-3-5-9(11)13/h3-6,8H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyPADUAEMGQYDPFG-LDYMZIIASA-N
MW207.23 g/mol
LogP0.85
Rot. Bonds1

About (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione

(4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione (PubChem CID 101235410) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione.

Molecular Properties

Compound Name(4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
PubChem CID101235410
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCON1C(=O)C[C@@H](C)[C@@]12C=CC=CC2=O
InChIInChI=1S/C11H13NO3/c1-8-7-10(14)12(15-2)11(8)6-4-3-5-9(11)13/h3-6,8H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyPADUAEMGQYDPFG-LDYMZIIASA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 13906783
(3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 134982796
8-Methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 158292836
(4R,5S)-1-methoxy-4-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11425200
1-Methoxy-4,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 16115814
(4R,5S)-1-methoxy-4,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235398
(3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235400
(3S,5S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 101235413
1-Methoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 102583226

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
The IUPAC name of (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione (CID 101235410) is (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione.
What is the SMILES notation for (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
The canonical SMILES for (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione is CON1C(=O)C[C@@H](C)[C@@]12C=CC=CC2=O.
What is the InChIKey of (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
The InChIKey is PADUAEMGQYDPFG-LDYMZIIASA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-7-10(14)12(15-2)11(8)6-4-3-5-9(11)13/h3-6,8H,7H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
(4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione has a molecular weight of 207.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione is sourced from PubChem (CID 101235410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).