4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione

C17H13NO3 — CID 78158612

IUPAC4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione
SMILESO=C1OC2(C(=O)NCC2c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-15-12-8-4-5-9-13(12)17(21-15)14(10-18-16(17)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,20)
InChIKeyRCEPHOGOELZSFQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.97
Rot. Bonds1

About 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione

4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione (PubChem CID 78158612) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione.

Molecular Properties

Compound Name4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione
PubChem CID78158612
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione
SMILESO=C1OC2(C(=O)NCC2c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-15-12-8-4-5-9-13(12)17(21-15)14(10-18-16(17)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,20)
InChIKeyRCEPHOGOELZSFQ-UHFFFAOYSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione?
The IUPAC name of 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione (CID 78158612) is 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione.
What is the SMILES notation for 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione?
The canonical SMILES for 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione is O=C1OC2(C(=O)NCC2c2ccccc2)c2ccccc21.
What is the InChIKey of 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione?
The InChIKey is RCEPHOGOELZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15-12-8-4-5-9-13(12)17(21-15)14(10-18-16(17)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,20).
What are the key properties of 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione?
4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione has a molecular weight of 279.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione is sourced from PubChem (CID 78158612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).