methyl 5,6-dimethyl-1H-indole-2-carboxylate

C12H13NO2 — CID 10867407

IUPACmethyl 5,6-dimethyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C12H13NO2/c1-7-4-9-6-11(12(14)15-3)13-10(9)5-8(7)2/h4-6,13H,1-3H3
InChIKeyINYLDNXYZGHYBM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.57
Rot. Bonds1

About methyl 5,6-dimethyl-1H-indole-2-carboxylate

methyl 5,6-dimethyl-1H-indole-2-carboxylate (PubChem CID 10867407) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 5,6-dimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dimethyl-1H-indole-2-carboxylate
PubChem CID10867407
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 5,6-dimethyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C12H13NO2/c1-7-4-9-6-11(12(14)15-3)13-10(9)5-8(7)2/h4-6,13H,1-3H3
InChIKeyINYLDNXYZGHYBM-UHFFFAOYSA-N
XLogP2.57
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-6-methyl-1H-indole-2-carboxylic acid;methyl 5-fluoro-6-methyl-1H-indole-2-carboxylate
CID 160768064
methyl 5,6-dihydroxy-1H-indole-2-carboxylate
CID 22162548
methyl 5-bromo-6-methoxy-1H-indole-2-carboxylate
CID 16726758
methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58437486
methyl 3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 16768515
methyl 5-methylsulfanyl-1H-indole-2-carboxylate
CID 145163605
methyl 5-ethoxy-6-hydroxy-1H-indole-2-carboxylate
CID 168814856
(2-methoxycarbonyl-1H-indol-5-yl)boronic acid
CID 21014347
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
(Z)-3-amino-1-(5,6-dimethyl-1H-indol-2-yl)-2-methylbut-2-en-1-one
CID 145211090
methyl 5-formamido-1H-indole-2-carboxylate
CID 91809592
methyl 6-(3-sulfanylprop-1-ynyl)-1H-indole-2-carboxylate
CID 169487509

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dimethyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 5,6-dimethyl-1H-indole-2-carboxylate (CID 10867407) is methyl 5,6-dimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5,6-dimethyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5,6-dimethyl-1H-indole-2-carboxylate is COC(=O)c1cc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of methyl 5,6-dimethyl-1H-indole-2-carboxylate?
The InChIKey is INYLDNXYZGHYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-4-9-6-11(12(14)15-3)13-10(9)5-8(7)2/h4-6,13H,1-3H3.
What are the key properties of methyl 5,6-dimethyl-1H-indole-2-carboxylate?
methyl 5,6-dimethyl-1H-indole-2-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 10867407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).