dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate

C14H15NO5 — CID 10660138

IUPACdimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
SMILESCOC(=O)c1cc2c(C)c(C(=O)OC)cc(OC)c2[nH]1
InChIInChI=1S/C14H15NO5/c1-7-8-5-10(14(17)20-4)15-12(8)11(18-2)6-9(7)13(16)19-3/h5-6,15H,1-4H3
InChIKeyCBYZPUAFOVDKTH-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.06
Rot. Bonds3

About dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate

dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate (PubChem CID 10660138) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
PubChem CID10660138
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namedimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
SMILESCOC(=O)c1cc2c(C)c(C(=O)OC)cc(OC)c2[nH]1
InChIInChI=1S/C14H15NO5/c1-7-8-5-10(14(17)20-4)15-12(8)11(18-2)6-9(7)13(16)19-3/h5-6,15H,1-4H3
InChIKeyCBYZPUAFOVDKTH-UHFFFAOYSA-N
XLogP2.06
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate?
The IUPAC name of dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate (CID 10660138) is dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate?
The canonical SMILES for dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate is COC(=O)c1cc2c(C)c(C(=O)OC)cc(OC)c2[nH]1.
What is the InChIKey of dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate?
The InChIKey is CBYZPUAFOVDKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-7-8-5-10(14(17)20-4)15-12(8)11(18-2)6-9(7)13(16)19-3/h5-6,15H,1-4H3.
What are the key properties of dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate?
dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate has a molecular weight of 277.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate is sourced from PubChem (CID 10660138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).