(5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione

C13H17NO3 — CID 11447683

IUPAC(5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione
SMILESCON1C(=O)CC[C@@H](C)[C@@]12C=CC(=O)C=C2C
InChIInChI=1S/C13H17NO3/c1-9-4-5-12(16)14(17-3)13(9)7-6-11(15)8-10(13)2/h6-9H,4-5H2,1-3H3/t9-,13-/m1/s1
InChIKeyQAKUNGJPPTUATQ-NOZJJQNGSA-N
MW235.28 g/mol
LogP1.63
Rot. Bonds1

About (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione

(5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione (PubChem CID 11447683) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione.

Molecular Properties

Compound Name(5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione
PubChem CID11447683
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione
SMILESCON1C(=O)CC[C@@H](C)[C@@]12C=CC(=O)C=C2C
InChIInChI=1S/C13H17NO3/c1-9-4-5-12(16)14(17-3)13(9)7-6-11(15)8-10(13)2/h6-9H,4-5H2,1-3H3/t9-,13-/m1/s1
InChIKeyQAKUNGJPPTUATQ-NOZJJQNGSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione with MolForge

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Related Compounds

1-Methoxy-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione
CID 13709973
2-[(1-Methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]cyclohexa-2,5-diene-1,4-dione
CID 170441037
1-Methoxy-10-methyl-1-azaspiro[5.5]undec-9-en-2-one
CID 11148484
(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-10-methyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione
CID 11736173
1-methoxy-6-(2-oxopropyl)-6-[(E)-pent-3-enyl]piperidin-2-one
CID 11817638
(4R,5R)-4-butyl-1-methoxy-6-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235401
(3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235403

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione?
The IUPAC name of (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione (CID 11447683) is (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione.
What is the SMILES notation for (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione?
The canonical SMILES for (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione is CON1C(=O)CC[C@@H](C)[C@@]12C=CC(=O)C=C2C.
What is the InChIKey of (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione?
The InChIKey is QAKUNGJPPTUATQ-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-4-5-12(16)14(17-3)13(9)7-6-11(15)8-10(13)2/h6-9H,4-5H2,1-3H3/t9-,13-/m1/s1.
What are the key properties of (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione?
(5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione has a molecular weight of 235.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-1-methoxy-5,11-dimethyl-1-azaspiro[5.5]undeca-7,10-diene-2,9-dione is sourced from PubChem (CID 11447683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).