methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate

C13H15NO2 — CID 54107367

IUPACmethyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2cc(C)ccc12
InChIInChI=1S/C13H15NO2/c1-8-4-5-10-11(7-13(15)16-3)9(2)14-12(10)6-8/h4-6,14H,7H2,1-3H3
InChIKeyNESBKPVYYNMZGX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.50
Rot. Bonds2

About methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate

methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate (PubChem CID 54107367) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
PubChem CID54107367
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2cc(C)ccc12
InChIInChI=1S/C13H15NO2/c1-8-4-5-10-11(7-13(15)16-3)9(2)14-12(10)6-8/h4-6,14H,7H2,1-3H3
InChIKeyNESBKPVYYNMZGX-UHFFFAOYSA-N
XLogP2.50
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.50
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

2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
CID 69181166
methyl 2-(5-ethoxy-2,6-dimethyl-1H-indol-3-yl)acetate
CID 91226592
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
3-(chloromethyl)-2,6-dimethyl-1H-indole
CID 130049399
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
2-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate
CID 131413897
2-[[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 10271239

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate (CID 54107367) is methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate is COC(=O)Cc1c(C)[nH]c2cc(C)ccc12.
What is the InChIKey of methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate?
The InChIKey is NESBKPVYYNMZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-4-5-10-11(7-13(15)16-3)9(2)14-12(10)6-8/h4-6,14H,7H2,1-3H3.
What are the key properties of methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate?
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate has a molecular weight of 217.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 54107367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).