[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate

C14H18N2O2 — CID 15480709

IUPAC[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate
SMILESCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C14H18N2O2/c1-10(17)18-12-4-5-14-13(8-12)11(9-15-14)6-7-16(2)3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyBZFGYTBVFYYKOK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.20
Rot. Bonds4

About [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate (PubChem CID 15480709) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate
PubChem CID15480709
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate
SMILESCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C14H18N2O2/c1-10(17)18-12-4-5-14-13(8-12)11(9-15-14)6-7-16(2)3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyBZFGYTBVFYYKOK-UHFFFAOYSA-N
XLogP2.20
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.20
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-5-yl] acetate?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate (CID 15480709) is [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate is CC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate?
The InChIKey is BZFGYTBVFYYKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)18-12-4-5-14-13(8-12)11(9-15-14)6-7-16(2)3/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate?
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate has a molecular weight of 246.31 g/mol, XLogP of 2.20, 4 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-5-yl] acetate is sourced from PubChem (CID 15480709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).