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

C15H21NO4 — CID 11680713

IUPAC(3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=C[C@@]12C[C@H](C(C)(C)C)C(=O)N2OC
InChIInChI=1S/C15H21NO4/c1-14(2,3)11-9-15(16(20-5)13(11)18)7-6-10(17)8-12(15)19-4/h6-8,11H,9H2,1-5H3/t11-,15+/m0/s1
InChIKeyCJZUVBRZWOYPJZ-XHDPSFHLSA-N
MW279.34 g/mol
LogP1.85
Rot. Bonds2

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

(3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 11680713) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name(3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID11680713
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCOC1=CC(=O)C=C[C@@]12C[C@H](C(C)(C)C)C(=O)N2OC
InChIInChI=1S/C15H21NO4/c1-14(2,3)11-9-15(16(20-5)13(11)18)7-6-10(17)8-12(15)19-4/h6-8,11H,9H2,1-5H3/t11-,15+/m0/s1
InChIKeyCJZUVBRZWOYPJZ-XHDPSFHLSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-Dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11601011
8-Methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione
CID 73294383
(4R,5S)-1,6-dimethoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235404
(3S,5R)-1,6-dimethoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235405
(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

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of (3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 11680713) is (3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for (3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for (3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is COC1=CC(=O)C=C[C@@]12C[C@H](C(C)(C)C)C(=O)N2OC.
What is the InChIKey of (3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is CJZUVBRZWOYPJZ-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2,3)11-9-15(16(20-5)13(11)18)7-6-10(17)8-12(15)19-4/h6-8,11H,9H2,1-5H3/t11-,15+/m0/s1.
What are the key properties of (3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
(3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 279.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-tert-butyl-1,6-dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 11680713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).