2-(1-benzylindol-3-yl)ethyl acetate

C19H19NO2 — CID 15202306

IUPAC2-(1-benzylindol-3-yl)ethyl acetate
SMILESCC(=O)OCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-15(21)22-12-11-17-14-20(13-16-7-3-2-4-8-16)19-10-6-5-9-18(17)19/h2-10,14H,11-13H2,1H3
InChIKeyMMWBPJWKVPBLPI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.80
Rot. Bonds5

About 2-(1-benzylindol-3-yl)ethyl acetate

2-(1-benzylindol-3-yl)ethyl acetate (PubChem CID 15202306) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)ethyl acetate
PubChem CID15202306
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(1-benzylindol-3-yl)ethyl acetate
SMILESCC(=O)OCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-15(21)22-12-11-17-14-20(13-16-7-3-2-4-8-16)19-10-6-5-9-18(17)19/h2-10,14H,11-13H2,1H3
InChIKeyMMWBPJWKVPBLPI-UHFFFAOYSA-N
XLogP3.80
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)ethyl acetate?
The IUPAC name of 2-(1-benzylindol-3-yl)ethyl acetate (CID 15202306) is 2-(1-benzylindol-3-yl)ethyl acetate.
What is the SMILES notation for 2-(1-benzylindol-3-yl)ethyl acetate?
The canonical SMILES for 2-(1-benzylindol-3-yl)ethyl acetate is CC(=O)OCCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzylindol-3-yl)ethyl acetate?
The InChIKey is MMWBPJWKVPBLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-15(21)22-12-11-17-14-20(13-16-7-3-2-4-8-16)19-10-6-5-9-18(17)19/h2-10,14H,11-13H2,1H3.
What are the key properties of 2-(1-benzylindol-3-yl)ethyl acetate?
2-(1-benzylindol-3-yl)ethyl acetate has a molecular weight of 293.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)ethyl acetate is sourced from PubChem (CID 15202306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).