[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate

C17H22N2O2 — CID 169222165

IUPAC[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate
SMILESCCC(=O)Oc1ccc2[nH]cc(CCN3CCCC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-2-17(20)21-14-5-6-16-15(11-14)13(12-18-16)7-10-19-8-3-4-9-19/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyCVWGFGZBDSVWEJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.12
Rot. Bonds5

About [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate

[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate (PubChem CID 169222165) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate.

Molecular Properties

Compound Name[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate
PubChem CID169222165
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate
SMILESCCC(=O)Oc1ccc2[nH]cc(CCN3CCCC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-2-17(20)21-14-5-6-16-15(11-14)13(12-18-16)7-10-19-8-3-4-9-19/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyCVWGFGZBDSVWEJ-UHFFFAOYSA-N
XLogP3.12
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane
CID 174163040
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
CID 169222529
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
6-hydroxy-6-oxohexanoate;2-(5-propanoyloxy-1H-indol-3-yl)ethylazanium
CID 29712
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
bis[3-(2-aminoethyl)-1H-indol-5-yl] hexanedioate
CID 57477029
[3-(2-aminoethyl)-1H-indol-5-yl] hexanoate;hydrochloride
CID 67642487
[3-[4-(3-benzylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70064532
[3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412080
[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate
CID 170558359
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645

Frequently Asked Questions

What is the IUPAC name of [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate?
The IUPAC name of [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate (CID 169222165) is [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate.
What is the SMILES notation for [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate?
The canonical SMILES for [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate is CCC(=O)Oc1ccc2[nH]cc(CCN3CCCC3)c2c1.
What is the InChIKey of [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate?
The InChIKey is CVWGFGZBDSVWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-17(20)21-14-5-6-16-15(11-14)13(12-18-16)7-10-19-8-3-4-9-19/h5-6,11-12,18H,2-4,7-10H2,1H3.
What are the key properties of [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate?
[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate has a molecular weight of 286.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate is sourced from PubChem (CID 169222165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).