[2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate

C18H15NO4 — CID 770964

IUPAC[2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccccc1N1C(=O)CCC1=O
InChIInChI=1S/C18H15NO4/c20-16-10-11-17(21)19(16)14-8-4-5-9-15(14)23-18(22)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyOUKXOSHIHOIUCD-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.49
Rot. Bonds4

About [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate

[2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate (PubChem CID 770964) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate
PubChem CID770964
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name[2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccccc1N1C(=O)CCC1=O
InChIInChI=1S/C18H15NO4/c20-16-10-11-17(21)19(16)14-8-4-5-9-15(14)23-18(22)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyOUKXOSHIHOIUCD-UHFFFAOYSA-N
XLogP2.49
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-Acetyl-3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-2H-indol-2-one
CID 29321
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-fluorobenzoate
CID 4171474
(2-Benzamidophenyl) benzoate
CID 226518
3-Benzoyl-3H-benzooxazol-2-one
CID 689063
4-(2,5-Dioxo-1-pyrrolidinyl)-3-methylphenyl 4-methylbenzoate
CID 972479
4-(2,5-Dioxopyrrolidin-1-yl)phenyl 2-methoxybenzoate
CID 770963
Phenyl 3-(2,5-dioxo-1-pyrrolidinyl)benzoate
CID 873004
2-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 2-fluorobenzoate
CID 2924983
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-chlorobenzoate
CID 3578380
2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate
CID 4356112
[2-(2-Ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4532941
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl benzoate
CID 4694793

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate?
The IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate (CID 770964) is [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate.
What is the SMILES notation for [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate?
The canonical SMILES for [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate is O=C(Cc1ccccc1)Oc1ccccc1N1C(=O)CCC1=O.
What is the InChIKey of [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate?
The InChIKey is OUKXOSHIHOIUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-16-10-11-17(21)19(16)14-8-4-5-9-15(14)23-18(22)12-13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate?
[2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate has a molecular weight of 309.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate is sourced from PubChem (CID 770964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).