phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

C19H17NO4 — CID 2926611

IUPACphenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(COC(=O)C1CC(=O)N(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-17(14-7-3-1-4-8-14)13-24-19(23)15-11-18(22)20(12-15)16-9-5-2-6-10-16/h1-10,15H,11-13H2
InChIKeyHDBGHKUXPXYGKT-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.47
Rot. Bonds5

About phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 2926611) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namephenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID2926611
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namephenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(COC(=O)C1CC(=O)N(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-17(14-7-3-1-4-8-14)13-24-19(23)15-11-18(22)20(12-15)16-9-5-2-6-10-16/h1-10,15H,11-13H2
InChIKeyHDBGHKUXPXYGKT-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 2926611) is phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is O=C(COC(=O)C1CC(=O)N(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is HDBGHKUXPXYGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17(14-7-3-1-4-8-14)13-24-19(23)15-11-18(22)20(12-15)16-9-5-2-6-10-16/h1-10,15H,11-13H2.
What are the key properties of phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 2926611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).