methyl 2-(2-methyl-1H-indol-3-yl)acetate

C12H13NO2 — CID 10774509

IUPACmethyl 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-8-10(7-12(14)15-2)9-5-3-4-6-11(9)13-8/h3-6,13H,7H2,1-2H3
InChIKeyOMCDPBZUNDJKEQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds2

About methyl 2-(2-methyl-1H-indol-3-yl)acetate

methyl 2-(2-methyl-1H-indol-3-yl)acetate (PubChem CID 10774509) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2-(2-methyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-1H-indol-3-yl)acetate
PubChem CID10774509
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-8-10(7-12(14)15-2)9-5-3-4-6-11(9)13-8/h3-6,13H,7H2,1-2H3
InChIKeyOMCDPBZUNDJKEQ-UHFFFAOYSA-N
XLogP2.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indole-3-Acetic Acid
CID 802
1H-Indole-3-propanoic acid
CID 3744
Methyl indole-3-acetate
CID 74706
Ethyl 1H-indole-3-acetate
CID 13067
Indole-3-acetate
CID 801
Methyl Carbazole-3-Carboxylate
CID 504069
L-Tryptophan, methyl ester
CID 77980
5-Fluoroindole-3-acetic acid
CID 96750
2-(1-methyl-1H-indol-3-yl)acetic acid
CID 254166
2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 729801
3-methyl-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 2791194
2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester
CID 177728

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-1H-indol-3-yl)acetate (CID 10774509) is methyl 2-(2-methyl-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-1H-indol-3-yl)acetate is COC(=O)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of methyl 2-(2-methyl-1H-indol-3-yl)acetate?
The InChIKey is OMCDPBZUNDJKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-10(7-12(14)15-2)9-5-3-4-6-11(9)13-8/h3-6,13H,7H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-1H-indol-3-yl)acetate?
methyl 2-(2-methyl-1H-indol-3-yl)acetate has a molecular weight of 203.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 10774509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).