[2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C16H14N2O3 — CID 2422059

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O3/c1-18-8-4-7-14(18)16(20)21-10-15(19)12-9-17-13-6-3-2-5-11(12)13/h2-9,17H,10H2,1H3
InChIKeyDQYYPOILECKHFX-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.55
Rot. Bonds4

About [2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 2422059) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID2422059
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O3/c1-18-8-4-7-14(18)16(20)21-10-15(19)12-9-17-13-6-3-2-5-11(12)13/h2-9,17H,10H2,1H3
InChIKeyDQYYPOILECKHFX-UHFFFAOYSA-N
XLogP2.55
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 2422059) is [2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is DQYYPOILECKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-8-4-7-14(18)16(20)21-10-15(19)12-9-17-13-6-3-2-5-11(12)13/h2-9,17H,10H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.55, 4 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] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2422059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).