2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate

C20H19NO5 — CID 3293247

IUPAC2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate
SMILESO=C(COC(=O)C1CCCN1C(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO5/c22-18(15-8-3-1-4-9-15)14-25-19(23)17-12-7-13-21(17)20(24)26-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyULMBZINXENKANJ-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.08
Rot. Bonds5

About 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate

2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate (PubChem CID 3293247) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate
PubChem CID3293247
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate
SMILESO=C(COC(=O)C1CCCN1C(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO5/c22-18(15-8-3-1-4-9-15)14-25-19(23)17-12-7-13-21(17)20(24)26-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyULMBZINXENKANJ-UHFFFAOYSA-N
XLogP3.08
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate (CID 3293247) is 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate is O=C(COC(=O)C1CCCN1C(=O)Oc1ccccc1)c1ccccc1.
What is the InChIKey of 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is ULMBZINXENKANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c22-18(15-8-3-1-4-9-15)14-25-19(23)17-12-7-13-21(17)20(24)26-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2.
What are the key properties of 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate?
2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-phenacyl 1-O-phenyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 3293247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).