methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate

C12H13NO3 — CID 11085296

IUPACmethyl 6-methoxy-3-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)ccc2c1C
InChIInChI=1S/C12H13NO3/c1-7-9-5-4-8(15-2)6-10(9)13-11(7)12(14)16-3/h4-6,13H,1-3H3
InChIKeyYLHIIEWGEBIBPJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.27
Rot. Bonds2

About methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate

methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate (PubChem CID 11085296) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-methyl-1H-indole-2-carboxylate
PubChem CID11085296
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 6-methoxy-3-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)ccc2c1C
InChIInChI=1S/C12H13NO3/c1-7-9-5-4-8(15-2)6-10(9)13-11(7)12(14)16-3/h4-6,13H,1-3H3
InChIKeyYLHIIEWGEBIBPJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate (CID 11085296) is methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(OC)ccc2c1C.
What is the InChIKey of methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate?
The InChIKey is YLHIIEWGEBIBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-9-5-4-8(15-2)6-10(9)13-11(7)12(14)16-3/h4-6,13H,1-3H3.
What are the key properties of methyl 6-methoxy-3-methyl-1H-indole-2-carboxylate?
methyl 6-methoxy-3-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 6-methoxy-3-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 11085296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).