3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione

C16H13N3O4 — CID 170614976

IUPAC3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C(=O)CNc3c(-c4ccccc4)coc32)C(=O)N1
InChIInChI=1S/C16H13N3O4/c20-12-6-11(15(22)18-12)19-13(21)7-17-14-10(8-23-16(14)19)9-4-2-1-3-5-9/h1-5,8,11,17H,6-7H2,(H,18,20,22)
InChIKeyJXESAKZBRAOXMG-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.12
Rot. Bonds2

About 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione

3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione (PubChem CID 170614976) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione
PubChem CID170614976
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C(=O)CNc3c(-c4ccccc4)coc32)C(=O)N1
InChIInChI=1S/C16H13N3O4/c20-12-6-11(15(22)18-12)19-13(21)7-17-14-10(8-23-16(14)19)9-4-2-1-3-5-9/h1-5,8,11,17H,6-7H2,(H,18,20,22)
InChIKeyJXESAKZBRAOXMG-UHFFFAOYSA-N
XLogP1.12
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione (CID 170614976) is 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione is O=C1CC(N2C(=O)CNc3c(-c4ccccc4)coc32)C(=O)N1.
What is the InChIKey of 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is JXESAKZBRAOXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c20-12-6-11(15(22)18-12)19-13(21)7-17-14-10(8-23-16(14)19)9-4-2-1-3-5-9/h1-5,8,11,17H,6-7H2,(H,18,20,22).
What are the key properties of 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione?
3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 311.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 170614976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).