3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione

C16H10N2O4 — CID 50922744

IUPAC3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione
SMILESO=C1C=C(c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1
InChIInChI=1S/C16H10N2O4/c19-15-10-13(12-8-4-5-9-14(12)18(21)22)16(20)17(15)11-6-2-1-3-7-11/h1-10H
InChIKeyVBTUSZWRQMMXHV-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.55
Rot. Bonds3

About 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione

3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione (PubChem CID 50922744) has the molecular formula C16H10N2O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione
PubChem CID50922744
Molecular FormulaC16H10N2O4
Molecular Weight294.27 g/mol
Exact Mass294.06
IUPAC Name3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione
SMILESO=C1C=C(c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1
InChIInChI=1S/C16H10N2O4/c19-15-10-13(12-8-4-5-9-14(12)18(21)22)16(20)17(15)11-6-2-1-3-7-11/h1-10H
InChIKeyVBTUSZWRQMMXHV-UHFFFAOYSA-N
XLogP2.55
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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1-(2-nitrophenyl)anthracene-9,10-dione
CID 624934
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5-(2-nitrophenyl)-2,3-dihydropyran-6-one
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1-(3-chloro-4-fluorophenyl)-3-(2-fluorophenyl)pyrrole-2,5-dione
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5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole
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Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione (CID 50922744) is 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione is O=C1C=C(c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1.
What is the InChIKey of 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione?
The InChIKey is VBTUSZWRQMMXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4/c19-15-10-13(12-8-4-5-9-14(12)18(21)22)16(20)17(15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione?
3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione has a molecular weight of 294.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 50922744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).