[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C21H24N2O4 — CID 7888241

IUPAC[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCc1cc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)c(C)n1C
InChIInChI=1S/C21H24N2O4/c1-14-11-18(15(2)22(14)3)19(24)13-27-21(26)17-8-6-16(7-9-17)12-23-10-4-5-20(23)25/h6-9,11H,4-5,10,12-13H2,1-3H3
InChIKeyHDVWXLRGRKLGTD-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.80
Rot. Bonds6

About [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 7888241) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID7888241
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCc1cc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)c(C)n1C
InChIInChI=1S/C21H24N2O4/c1-14-11-18(15(2)22(14)3)19(24)13-27-21(26)17-8-6-16(7-9-17)12-23-10-4-5-20(23)25/h6-9,11H,4-5,10,12-13H2,1-3H3
InChIKeyHDVWXLRGRKLGTD-UHFFFAOYSA-N
XLogP2.80
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2,5-Dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 4018594
[2-(1-Ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-nitrobenzoate
CID 9454677
[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16288911
1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
CID 3235924
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
CID 3245731
ethyl 1-benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 661090
[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-bromobenzoate
CID 2401486
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2424508
[2-(2,5-Dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-benzamidoacetate
CID 2468954
2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester
CID 2522066
[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2534587
[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2534595

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 7888241) is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is Cc1cc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)c(C)n1C.
What is the InChIKey of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is HDVWXLRGRKLGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-11-18(15(2)22(14)3)19(24)13-27-21(26)17-8-6-16(7-9-17)12-23-10-4-5-20(23)25/h6-9,11H,4-5,10,12-13H2,1-3H3.
What are the key properties of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 368.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 7888241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).