[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate

C16H14N2O3 — CID 9113975

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C16H14N2O3/c19-15(14-6-3-7-17-14)10-21-16(20)8-11-9-18-13-5-2-1-4-12(11)13/h1-7,9,17-18H,8,10H2
InChIKeyQPTCXJGHKCEXFJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.46
Rot. Bonds5

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 9113975) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
PubChem CID9113975
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C16H14N2O3/c19-15(14-6-3-7-17-14)10-21-16(20)8-11-9-18-13-5-2-1-4-12(11)13/h1-7,9,17-18H,8,10H2
InChIKeyQPTCXJGHKCEXFJ-UHFFFAOYSA-N
XLogP2.46
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
chloro 2-(1H-indol-3-yl)acetate
CID 174694401
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8551687
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 2383248
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate (CID 9113975) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is QPTCXJGHKCEXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(14-6-3-7-17-14)10-21-16(20)8-11-9-18-13-5-2-1-4-12(11)13/h1-7,9,17-18H,8,10H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 282.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 9113975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).