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

C12H15NO3 — CID 101235400

IUPAC(3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCON1C(=O)[C@@H](C)C[C@]12C=CC(=O)C=C2C
InChIInChI=1S/C12H15NO3/c1-8-7-12(13(16-3)11(8)15)5-4-10(14)6-9(12)2/h4-6,8H,7H2,1-3H3/t8-,12-/m0/s1
InChIKeySCXDNZLQTFVELA-UFBFGSQYSA-N
MW221.26 g/mol
LogP1.24
Rot. Bonds1

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

(3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 101235400) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name(3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID101235400
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCON1C(=O)[C@@H](C)C[C@]12C=CC(=O)C=C2C
InChIInChI=1S/C12H15NO3/c1-8-7-12(13(16-3)11(8)15)5-4-10(14)6-9(12)2/h4-6,8H,7H2,1-3H3/t8-,12-/m0/s1
InChIKeySCXDNZLQTFVELA-UFBFGSQYSA-N
XLogP1.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione with MolForge

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Related Compounds

7-Fluoro-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11031120
6-Fluoro-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11106657
1-Methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11298476
1-Methoxy-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 13906783
(4R,5S)-1-methoxy-4-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 101235410
(3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 134982796
1-Methoxy-7-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11031019
1-Hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione
CID 70623858
3,3-Diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 118963012
(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
7-Acetyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 49818310

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 101235400) is (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is CON1C(=O)[C@@H](C)C[C@]12C=CC(=O)C=C2C.
What is the InChIKey of (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is SCXDNZLQTFVELA-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-7-12(13(16-3)11(8)15)5-4-10(14)6-9(12)2/h4-6,8H,7H2,1-3H3/t8-,12-/m0/s1.
What are the key properties of (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
(3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 221.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 101235400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).