2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione

C16H9NO3 — CID 171059839

IUPAC2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione
SMILESO=C1c2oc3ccccc3c2C(=O)N1c1ccccc1
InChIInChI=1S/C16H9NO3/c18-15-13-11-8-4-5-9-12(11)20-14(13)16(19)17(15)10-6-2-1-3-7-10/h1-9H
InChIKeyUDLSFDGWGNYKBQ-UHFFFAOYSA-N
MW263.25 g/mol
LogP3.23
Rot. Bonds1

About 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione

2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione (PubChem CID 171059839) has the molecular formula C16H9NO3 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione
PubChem CID171059839
Molecular FormulaC16H9NO3
Molecular Weight263.25 g/mol
Exact Mass263.06
IUPAC Name2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione
SMILESO=C1c2oc3ccccc3c2C(=O)N1c1ccccc1
InChIInChI=1S/C16H9NO3/c18-15-13-11-8-4-5-9-12(11)20-14(13)16(19)17(15)10-6-2-1-3-7-10/h1-9H
InChIKeyUDLSFDGWGNYKBQ-UHFFFAOYSA-N
XLogP3.23
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3H-[1]benzofuro[2,3-c]pyrrol-1-one
CID 171059840
2,3,9,10-tetrafluoro-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 171592153
6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 137492261
20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
CID 19587901
4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione
CID 3093304
3,4-difluoro-1-phenylpyrrole-2,5-dione
CID 13059269
2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one
CID 164681985
15-(4-nitrophenyl)-12,18-dioxa-15-azahexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),20,22,24,26-undecaene-14,16-dione
CID 71605507
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851992
1-(4-fluorophenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852061

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione?
The IUPAC name of 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione (CID 171059839) is 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione.
What is the SMILES notation for 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione?
The canonical SMILES for 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione is O=C1c2oc3ccccc3c2C(=O)N1c1ccccc1.
What is the InChIKey of 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione?
The InChIKey is UDLSFDGWGNYKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO3/c18-15-13-11-8-4-5-9-12(11)20-14(13)16(19)17(15)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione?
2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione has a molecular weight of 263.25 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1]benzofuro[2,3-c]pyrrole-1,3-dione is sourced from PubChem (CID 171059839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).