[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C16H16N2O3 — CID 2443345

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H16N2O3/c1-17-9-4-7-14(17)16(20)21-11-15(19)18-10-8-12-5-2-3-6-13(12)18/h2-7,9H,8,10-11H2,1H3
InChIKeyDMTLIDSPDOGBRS-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.77
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 2443345) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID2443345
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H16N2O3/c1-17-9-4-7-14(17)16(20)21-11-15(19)18-10-8-12-5-2-3-6-13(12)18/h2-7,9H,8,10-11H2,1H3
InChIKeyDMTLIDSPDOGBRS-UHFFFAOYSA-N
XLogP1.77
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 2443345) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is DMTLIDSPDOGBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-9-4-7-14(17)16(20)21-11-15(19)18-10-8-12-5-2-3-6-13(12)18/h2-7,9H,8,10-11H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2443345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).