methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate

C14H13NO3 — CID 10800263

IUPACmethyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate
SMILESCOC(=O)c1cc2n3c(cccc13)CC(C)C2=O
InChIInChI=1S/C14H13NO3/c1-8-6-9-4-3-5-11-10(14(17)18-2)7-12(13(8)16)15(9)11/h3-5,7-8H,6H2,1-2H3
InChIKeyRUYDGBILNZMLSI-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.10
Rot. Bonds1

About methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate

methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate (PubChem CID 10800263) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate
PubChem CID10800263
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate
SMILESCOC(=O)c1cc2n3c(cccc13)CC(C)C2=O
InChIInChI=1S/C14H13NO3/c1-8-6-9-4-3-5-11-10(14(17)18-2)7-12(13(8)16)15(9)11/h3-5,7-8H,6H2,1-2H3
InChIKeyRUYDGBILNZMLSI-UHFFFAOYSA-N
XLogP2.10
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate?
The IUPAC name of methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate (CID 10800263) is methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate?
The canonical SMILES for methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate is COC(=O)c1cc2n3c(cccc13)CC(C)C2=O.
What is the InChIKey of methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate?
The InChIKey is RUYDGBILNZMLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8-6-9-4-3-5-11-10(14(17)18-2)7-12(13(8)16)15(9)11/h3-5,7-8H,6H2,1-2H3.
What are the key properties of methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate?
methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate is sourced from PubChem (CID 10800263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).