[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate

C16H16N2O4 — CID 2997962

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C1CCC(=O)N1
InChIInChI=1S/C16H16N2O4/c1-9-15(10-4-2-3-5-11(10)17-9)13(19)8-22-16(21)12-6-7-14(20)18-12/h2-5,12,17H,6-8H2,1H3,(H,18,20)
InChIKeyXZONRKFRCLGMTA-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.48
Rot. Bonds4

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate (PubChem CID 2997962) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
PubChem CID2997962
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C1CCC(=O)N1
InChIInChI=1S/C16H16N2O4/c1-9-15(10-4-2-3-5-11(10)17-9)13(19)8-22-16(21)12-6-7-14(20)18-12/h2-5,12,17H,6-8H2,1H3,(H,18,20)
InChIKeyXZONRKFRCLGMTA-UHFFFAOYSA-N
XLogP1.48
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-
CID 214011
Ethyl 3-indolylglyoxylate
CID 101242
ethyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate
CID 246927
4-O-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2430126
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 4856075
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate
CID 7717289
2-(1,2-dimethyl-1H-indol-3-yl)-2-oxo-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 16194779
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 16274717
ethyl 5-[(Z)-[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 117889747
N-(2-methoxyethyl)-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide
CID 5236753
DL-Valine, N-(1H-indol-3-yloxoacetyl)-, ethyl ester
CID 24847657
2-O-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2089757

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate (CID 2997962) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1CCC(=O)N1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
The InChIKey is XZONRKFRCLGMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-15(10-4-2-3-5-11(10)17-9)13(19)8-22-16(21)12-6-7-14(20)18-12/h2-5,12,17H,6-8H2,1H3,(H,18,20).
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 2997962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).