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

C21H20N2O5 — CID 2999637

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H20N2O5/c1-13-20(16-6-2-3-7-17(16)22-13)18(24)12-28-21(26)14-9-19(25)23(10-14)11-15-5-4-8-27-15/h2-8,14,22H,9-12H2,1H3
InChIKeyMSMROTKSZPELPR-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.84
Rot. Bonds6

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

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 2999637) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID2999637
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H20N2O5/c1-13-20(16-6-2-3-7-17(16)22-13)18(24)12-28-21(26)14-9-19(25)23(10-14)11-15-5-4-8-27-15/h2-8,14,22H,9-12H2,1H3
InChIKeyMSMROTKSZPELPR-UHFFFAOYSA-N
XLogP2.84
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 2999637) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is MSMROTKSZPELPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-13-20(16-6-2-3-7-17(16)22-13)18(24)12-28-21(26)14-9-19(25)23(10-14)11-15-5-4-8-27-15/h2-8,14,22H,9-12H2,1H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 2999637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).