(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate

C19H19NO3 — CID 9133484

IUPAC(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1cccc(COC(=O)c2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C19H19NO3/c1-14-6-4-7-15(12-14)13-23-19(22)16-8-2-3-9-17(16)20-11-5-10-18(20)21/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyOHCXCHMAGJPGJQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.48
Rot. Bonds4

About (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate

(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9133484) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9133484
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1cccc(COC(=O)c2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C19H19NO3/c1-14-6-4-7-15(12-14)13-23-19(22)16-8-2-3-9-17(16)20-11-5-10-18(20)21/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyOHCXCHMAGJPGJQ-UHFFFAOYSA-N
XLogP3.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132983
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133924
(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9130969
(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134704
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132133
[2-(4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131156
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131031
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
ethyl 5-amino-4-cyano-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]oxymethyl]thiophene-2-carboxylate
CID 9132883
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
(2-chloroquinolin-3-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133574
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134507

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9133484) is (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate is Cc1cccc(COC(=O)c2ccccc2N2CCCC2=O)c1.
What is the InChIKey of (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is OHCXCHMAGJPGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14-6-4-7-15(12-14)13-23-19(22)16-8-2-3-9-17(16)20-11-5-10-18(20)21/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate?
(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 309.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9133484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).