(3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione

C11H13NO3 — CID 134982796

IUPAC(3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCON1C(=O)[C@@H](C)CC12C=CC=CC2=O
InChIInChI=1S/C11H13NO3/c1-8-7-11(12(15-2)10(8)14)6-4-3-5-9(11)13/h3-6,8H,7H2,1-2H3/t8-,11?/m0/s1
InChIKeyHFMVVTKPLJWVPK-YMNIQAILSA-N
MW207.23 g/mol
LogP0.85
Rot. Bonds1

About (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione

(3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione (PubChem CID 134982796) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione.

Molecular Properties

Compound Name(3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
PubChem CID134982796
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCON1C(=O)[C@@H](C)CC12C=CC=CC2=O
InChIInChI=1S/C11H13NO3/c1-8-7-11(12(15-2)10(8)14)6-4-3-5-9(11)13/h3-6,8H,7H2,1-2H3/t8-,11?/m0/s1
InChIKeyHFMVVTKPLJWVPK-YMNIQAILSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
The IUPAC name of (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione (CID 134982796) is (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione.
What is the SMILES notation for (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
The canonical SMILES for (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione is CON1C(=O)[C@@H](C)CC12C=CC=CC2=O.
What is the InChIKey of (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
The InChIKey is HFMVVTKPLJWVPK-YMNIQAILSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-7-11(12(15-2)10(8)14)6-4-3-5-9(11)13/h3-6,8H,7H2,1-2H3/t8-,11?/m0/s1.
What are the key properties of (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione?
(3S)-1-methoxy-3-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 (3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione is sourced from PubChem (CID 134982796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).