10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate

C14H15NO6 — CID 135275662

IUPAC10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate
SMILESCCOC(=O)N1C2Cc3oc(=O)c(C(=O)OC)cc3C1C2
InChIInChI=1S/C14H15NO6/c1-3-20-14(18)15-7-4-10(15)8-6-9(12(16)19-2)13(17)21-11(8)5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyRCBHZSUHQGKTLZ-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.25
Rot. Bonds2

About 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate

10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate (PubChem CID 135275662) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate.

Molecular Properties

Compound Name10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate
PubChem CID135275662
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate
SMILESCCOC(=O)N1C2Cc3oc(=O)c(C(=O)OC)cc3C1C2
InChIInChI=1S/C14H15NO6/c1-3-20-14(18)15-7-4-10(15)8-6-9(12(16)19-2)13(17)21-11(8)5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyRCBHZSUHQGKTLZ-UHFFFAOYSA-N
XLogP1.25
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 14040084
CID 14040084

Frequently Asked Questions

What is the IUPAC name of 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate?
The IUPAC name of 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate (CID 135275662) is 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate.
What is the SMILES notation for 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate?
The canonical SMILES for 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate is CCOC(=O)N1C2Cc3oc(=O)c(C(=O)OC)cc3C1C2.
What is the InChIKey of 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate?
The InChIKey is RCBHZSUHQGKTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-3-20-14(18)15-7-4-10(15)8-6-9(12(16)19-2)13(17)21-11(8)5-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate?
10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate has a molecular weight of 293.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-ethyl 4-O-methyl 5-oxo-6-oxa-10-azatricyclo[7.1.1.02,7]undeca-2(7),3-diene-4,10-dicarboxylate is sourced from PubChem (CID 135275662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).