ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate

C14H17NO2 — CID 91665749

IUPACethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate
SMILESCCOC(=O)Cc1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C14H17NO2/c1-4-17-14(16)8-13-10(3)11-7-9(2)5-6-12(11)15-13/h5-7,15H,4,8H2,1-3H3
InChIKeyUOTFTYPWLUQKCT-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.89
Rot. Bonds3

About ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate

ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate (PubChem CID 91665749) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate
PubChem CID91665749
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate
SMILESCCOC(=O)Cc1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C14H17NO2/c1-4-17-14(16)8-13-10(3)11-7-9(2)5-6-12(11)15-13/h5-7,15H,4,8H2,1-3H3
InChIKeyUOTFTYPWLUQKCT-UHFFFAOYSA-N
XLogP2.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.89
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-ethyl-3,5-dimethyl-1H-indole
CID 1209049
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol
CID 170857441
1-(5-bromo-3-methyl-1H-indol-2-yl)propan-2-one
CID 82667214
ethyl 2-(1,5-dimethylindol-3-yl)acetate
CID 84740898
ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
CID 23992270
ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
CID 938498
diethyl (2E)-2-[(6-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]butanedioate
CID 155926980
ethyl 4-acetyl-3-methyl-5-[(5-methyl-1H-indol-3-yl)methyl]-1H-pyrrole-2-carboxylate
CID 10359772
iodo 3-(5-hydroxy-3-methyl-1H-indol-2-yl)propanoate
CID 170050875
ethyl 2-(2-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 156620506

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate?
The IUPAC name of ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate (CID 91665749) is ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate is CCOC(=O)Cc1[nH]c2ccc(C)cc2c1C.
What is the InChIKey of ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate?
The InChIKey is UOTFTYPWLUQKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-17-14(16)8-13-10(3)11-7-9(2)5-6-12(11)15-13/h5-7,15H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate?
ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate has a molecular weight of 231.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate is sourced from PubChem (CID 91665749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).