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

C14H17NO2 — CID 15424486

IUPACethyl 2-(3-ethyl-1H-indol-2-yl)acetate
SMILESCCOC(=O)Cc1[nH]c2ccccc2c1CC
InChIInChI=1S/C14H17NO2/c1-3-10-11-7-5-6-8-12(11)15-13(10)9-14(16)17-4-2/h5-8,15H,3-4,9H2,1-2H3
InChIKeyRJJBFIRTPWKDOB-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.84
Rot. Bonds4

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

ethyl 2-(3-ethyl-1H-indol-2-yl)acetate (PubChem CID 15424486) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-1H-indol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-1H-indol-2-yl)acetate
PubChem CID15424486
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-(3-ethyl-1H-indol-2-yl)acetate
SMILESCCOC(=O)Cc1[nH]c2ccccc2c1CC
InChIInChI=1S/C14H17NO2/c1-3-10-11-7-5-6-8-12(11)15-13(10)9-14(16)17-4-2/h5-8,15H,3-4,9H2,1-2H3
InChIKeyRJJBFIRTPWKDOB-UHFFFAOYSA-N
XLogP2.84
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.84
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

ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
ethyl 2-[2-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-indol-3-yl]acetate
CID 132577848
2,3-diethyl-1H-indole;hydrate
CID 70606554
ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate
CID 132577846
ethyl 2-[2-(2-amino-3-oxo-3-pyridin-2-ylpropyl)-1H-indol-3-yl]acetate
CID 154302994
ethyl 2-(3,5-dimethyl-1H-indol-2-yl)acetate
CID 91665749
ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate
CID 138373891
ethyl 3-(2-nitro-1H-indol-3-yl)propanoate
CID 140973009
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
3-ethyl-2-propyl-1H-indole
CID 65335384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-1H-indol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-ethyl-1H-indol-2-yl)acetate (CID 15424486) is ethyl 2-(3-ethyl-1H-indol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethyl-1H-indol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethyl-1H-indol-2-yl)acetate is CCOC(=O)Cc1[nH]c2ccccc2c1CC.
What is the InChIKey of ethyl 2-(3-ethyl-1H-indol-2-yl)acetate?
The InChIKey is RJJBFIRTPWKDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-10-11-7-5-6-8-12(11)15-13(10)9-14(16)17-4-2/h5-8,15H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-(3-ethyl-1H-indol-2-yl)acetate?
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate has a molecular weight of 231.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-1H-indol-2-yl)acetate is sourced from PubChem (CID 15424486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).