[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

C20H17NO4 — CID 6255512

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17NO4/c1-24-19-9-5-2-6-14(19)10-11-20(23)25-13-18(22)16-12-21-17-8-4-3-7-15(16)17/h2-12,21H,13H2,1H3/b11-10+
InChIKeyFVHJQDGWFFAWCL-ZHACJKMWSA-N
MW335.36 g/mol
LogP3.62
Rot. Bonds6

About [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 6255512) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID6255512
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17NO4/c1-24-19-9-5-2-6-14(19)10-11-20(23)25-13-18(22)16-12-21-17-8-4-3-7-15(16)17/h2-12,21H,13H2,1H3/b11-10+
InChIKeyFVHJQDGWFFAWCL-ZHACJKMWSA-N
XLogP3.62
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 6255512) is [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is FVHJQDGWFFAWCL-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-19-9-5-2-6-14(19)10-11-20(23)25-13-18(22)16-12-21-17-8-4-3-7-15(16)17/h2-12,21H,13H2,1H3/b11-10+.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 335.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 6255512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).