methyl 4-methoxy-1H-indole-2-carboxylate

C11H11NO3 — CID 688172

IUPACmethyl 4-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C11H11NO3/c1-14-10-5-3-4-8-7(10)6-9(12-8)11(13)15-2/h3-6,12H,1-2H3
InChIKeyGLCZQTLCVLVFGV-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.96
Rot. Bonds2

About methyl 4-methoxy-1H-indole-2-carboxylate

methyl 4-methoxy-1H-indole-2-carboxylate (PubChem CID 688172) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 4-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1H-indole-2-carboxylate
PubChem CID688172
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 4-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C11H11NO3/c1-14-10-5-3-4-8-7(10)6-9(12-8)11(13)15-2/h3-6,12H,1-2H3
InChIKeyGLCZQTLCVLVFGV-UHFFFAOYSA-N
XLogP1.96
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1H-indole-2-carboxylate (CID 688172) is methyl 4-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1H-indole-2-carboxylate is COC(=O)c1cc2c(OC)cccc2[nH]1.
What is the InChIKey of methyl 4-methoxy-1H-indole-2-carboxylate?
The InChIKey is GLCZQTLCVLVFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-10-5-3-4-8-7(10)6-9(12-8)11(13)15-2/h3-6,12H,1-2H3.
What are the key properties of methyl 4-methoxy-1H-indole-2-carboxylate?
methyl 4-methoxy-1H-indole-2-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 688172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).