6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione

C16H19NO3 — CID 2967270

IUPAC6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
SMILESCCOc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=O
InChIInChI=1S/C16H19NO3/c1-5-20-10-6-11-9(2)8-16(3,4)17-13(11)12(7-10)14(18)15(17)19/h6-7,9H,5,8H2,1-4H3
InChIKeyXQMWWHIDJLXIEQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.90
Rot. Bonds2

About 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione

6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione (PubChem CID 2967270) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione.

Molecular Properties

Compound Name6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
PubChem CID2967270
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
SMILESCCOc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=O
InChIInChI=1S/C16H19NO3/c1-5-20-10-6-11-9(2)8-16(3,4)17-13(11)12(7-10)14(18)15(17)19/h6-7,9H,5,8H2,1-4H3
InChIKeyXQMWWHIDJLXIEQ-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The IUPAC name of 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione (CID 2967270) is 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione.
What is the SMILES notation for 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The canonical SMILES for 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione is CCOc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=O.
What is the InChIKey of 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The InChIKey is XQMWWHIDJLXIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-20-10-6-11-9(2)8-16(3,4)17-13(11)12(7-10)14(18)15(17)19/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione has a molecular weight of 273.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione is sourced from PubChem (CID 2967270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).