methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate

C12H13NO3 — CID 11424532

IUPACmethyl 4-methoxy-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)c(C)ccc2[nH]1
InChIInChI=1S/C12H13NO3/c1-7-4-5-9-8(11(7)15-2)6-10(13-9)12(14)16-3/h4-6,13H,1-3H3
InChIKeyGEUBGUIHUFHEBE-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.27
Rot. Bonds2

About methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate

methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate (PubChem CID 11424532) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-methyl-1H-indole-2-carboxylate
PubChem CID11424532
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 4-methoxy-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)c(C)ccc2[nH]1
InChIInChI=1S/C12H13NO3/c1-7-4-5-9-8(11(7)15-2)6-10(13-9)12(14)16-3/h4-6,13H,1-3H3
InChIKeyGEUBGUIHUFHEBE-UHFFFAOYSA-N
XLogP2.27
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate (CID 11424532) is methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate is COC(=O)c1cc2c(OC)c(C)ccc2[nH]1.
What is the InChIKey of methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate?
The InChIKey is GEUBGUIHUFHEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-4-5-9-8(11(7)15-2)6-10(13-9)12(14)16-3/h4-6,13H,1-3H3.
What are the key properties of methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate?
methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 11424532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).