methyl 3,4-dimethyl-1H-indole-2-carboxylate

C12H13NO2 — CID 151780672

IUPACmethyl 3,4-dimethyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(C)c2c1C
InChIInChI=1S/C12H13NO2/c1-7-5-4-6-9-10(7)8(2)11(13-9)12(14)15-3/h4-6,13H,1-3H3
InChIKeyRUNHSSVDJFVWEB-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.57
Rot. Bonds1

About methyl 3,4-dimethyl-1H-indole-2-carboxylate

methyl 3,4-dimethyl-1H-indole-2-carboxylate (PubChem CID 151780672) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 3,4-dimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dimethyl-1H-indole-2-carboxylate
PubChem CID151780672
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 3,4-dimethyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(C)c2c1C
InChIInChI=1S/C12H13NO2/c1-7-5-4-6-9-10(7)8(2)11(13-9)12(14)15-3/h4-6,13H,1-3H3
InChIKeyRUNHSSVDJFVWEB-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

Analyze methyl 3,4-dimethyl-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-bromo-5-iodo-3-methyl-1H-indole-2-carboxylate
CID 147025487
methyl 3-methyl-5-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaene-4-carboxylate
CID 46183128
methyl 3-amino-4-chloro-1H-indole-2-carboxylate
CID 4777731
methyl 3-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 2048187
methyl 2-butyl-4-methyl-1H-indole-3-carboxylate
CID 18946677
ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
CID 143617162
methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate
CID 59946329
methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 7714437
methyl 4-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 4663468
methyl 4-bromo-2-methyl-1H-indole-3-carboxylate
CID 130049441
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 2042049

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dimethyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3,4-dimethyl-1H-indole-2-carboxylate (CID 151780672) is methyl 3,4-dimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3,4-dimethyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3,4-dimethyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(C)c2c1C.
What is the InChIKey of methyl 3,4-dimethyl-1H-indole-2-carboxylate?
The InChIKey is RUNHSSVDJFVWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-5-4-6-9-10(7)8(2)11(13-9)12(14)15-3/h4-6,13H,1-3H3.
What are the key properties of methyl 3,4-dimethyl-1H-indole-2-carboxylate?
methyl 3,4-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 3,4-dimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 151780672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).