phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate

C19H17NO4 — CID 9131445

IUPACphenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1N1CCCC1=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-17(14-7-2-1-3-8-14)13-24-19(23)15-9-4-5-10-16(15)20-12-6-11-18(20)22/h1-5,7-10H,6,11-13H2
InChIKeyXUJPVIPLQVEFNC-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.85
Rot. Bonds5

About phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate

phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9131445) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Namephenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9131445
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namephenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1N1CCCC1=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-17(14-7-2-1-3-8-14)13-24-19(23)15-9-4-5-10-16(15)20-12-6-11-18(20)22/h1-5,7-10H,6,11-13H2
InChIKeyXUJPVIPLQVEFNC-UHFFFAOYSA-N
XLogP2.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133609
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132983
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131293
[2-(4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131156
(2-fluorophenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9130969
[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133971
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 46610595
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132174
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 8647555
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131092
phenacyl 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
CID 98120203

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9131445) is phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate is O=C(COC(=O)c1ccccc1N1CCCC1=O)c1ccccc1.
What is the InChIKey of phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is XUJPVIPLQVEFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17(14-7-2-1-3-8-14)13-24-19(23)15-9-4-5-10-16(15)20-12-6-11-18(20)22/h1-5,7-10H,6,11-13H2.
What are the key properties of phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate?
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9131445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).