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

C17H23NO2 — CID 11054855

IUPAC2-(2-pentyl-1H-indol-3-yl)ethyl acetate
SMILESCCCCCc1[nH]c2ccccc2c1CCOC(C)=O
InChIInChI=1S/C17H23NO2/c1-3-4-5-9-17-15(11-12-20-13(2)19)14-8-6-7-10-16(14)18-17/h6-8,10,18H,3-5,9,11-12H2,1-2H3
InChIKeyASJKJEFQQCAOBE-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.01
Rot. Bonds7

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

2-(2-pentyl-1H-indol-3-yl)ethyl acetate (PubChem CID 11054855) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-pentyl-1H-indol-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-pentyl-1H-indol-3-yl)ethyl acetate
PubChem CID11054855
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(2-pentyl-1H-indol-3-yl)ethyl acetate
SMILESCCCCCc1[nH]c2ccccc2c1CCOC(C)=O
InChIInChI=1S/C17H23NO2/c1-3-4-5-9-17-15(11-12-20-13(2)19)14-8-6-7-10-16(14)18-17/h6-8,10,18H,3-5,9,11-12H2,1-2H3
InChIKeyASJKJEFQQCAOBE-UHFFFAOYSA-N
XLogP4.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
3-ethyl-2-propyl-1H-indole
CID 65335384
naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
CID 121305366
2-acetyloxyethyl acetate;hexane
CID 137406148
3-pentoxy-1H-indole-2-carboxylic acid
CID 174363847
2-octyl-3-phenyl-1H-quinolin-4-one
CID 135391605
3-hex-1-en-3-yl-2-pentyl-1H-indole
CID 10849606
2-tert-butyl-3-pentyl-1H-indole
CID 121472314
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide
CID 57340104

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentyl-1H-indol-3-yl)ethyl acetate?
The IUPAC name of 2-(2-pentyl-1H-indol-3-yl)ethyl acetate (CID 11054855) is 2-(2-pentyl-1H-indol-3-yl)ethyl acetate.
What is the SMILES notation for 2-(2-pentyl-1H-indol-3-yl)ethyl acetate?
The canonical SMILES for 2-(2-pentyl-1H-indol-3-yl)ethyl acetate is CCCCCc1[nH]c2ccccc2c1CCOC(C)=O.
What is the InChIKey of 2-(2-pentyl-1H-indol-3-yl)ethyl acetate?
The InChIKey is ASJKJEFQQCAOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-4-5-9-17-15(11-12-20-13(2)19)14-8-6-7-10-16(14)18-17/h6-8,10,18H,3-5,9,11-12H2,1-2H3.
What are the key properties of 2-(2-pentyl-1H-indol-3-yl)ethyl acetate?
2-(2-pentyl-1H-indol-3-yl)ethyl acetate has a molecular weight of 273.38 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentyl-1H-indol-3-yl)ethyl acetate is sourced from PubChem (CID 11054855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).