[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate

C15H20N2O2 — CID 155907598

IUPAC[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate
SMILESCCC(=O)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C15H20N2O2/c1-4-14(18)19-13-7-5-6-12-15(13)11(10-16-12)8-9-17(2)3/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyKUOGXPDQORRHED-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds5

About [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate (PubChem CID 155907598) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate
PubChem CID155907598
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate
SMILESCCC(=O)Oc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C15H20N2O2/c1-4-14(18)19-13-7-5-6-12-15(13)11(10-16-12)8-9-17(2)3/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyKUOGXPDQORRHED-UHFFFAOYSA-N
XLogP2.59
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate (CID 155907598) is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate is CCC(=O)Oc1cccc2[nH]cc(CCN(C)C)c12.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate?
The InChIKey is KUOGXPDQORRHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-14(18)19-13-7-5-6-12-15(13)11(10-16-12)8-9-17(2)3/h5-7,10,16H,4,8-9H2,1-3H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate?
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate has a molecular weight of 260.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] propanoate is sourced from PubChem (CID 155907598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).