3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one

C21H14N2O4 — CID 175310610

IUPAC3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one
SMILESO=C1NC(c2ccccc2)=CC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C21H14N2O4/c24-21-16(13-19(22-21)14-4-2-1-3-5-14)12-18-10-11-20(27-18)15-6-8-17(9-7-15)23(25)26/h1-13H,(H,22,24)
InChIKeyOMAZMDAJYJKSBT-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.41
Rot. Bonds4

About 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one

3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one (PubChem CID 175310610) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one
PubChem CID175310610
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one
SMILESO=C1NC(c2ccccc2)=CC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C21H14N2O4/c24-21-16(13-19(22-21)14-4-2-1-3-5-14)12-18-10-11-20(27-18)15-6-8-17(9-7-15)23(25)26/h1-13H,(H,22,24)
InChIKeyOMAZMDAJYJKSBT-UHFFFAOYSA-N
XLogP4.41
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135413275
(3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
CID 6513184
1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
CID 3586020
(5E)-3-(4-nitrophenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50872849
N-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 3554136
(5Z)-1-(2-chlorophenyl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126239414
1-(2-fluorophenyl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1347879
(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135480912
(2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4H-1,4-benzothiazin-3-one
CID 126111661
1-(4-methylphenyl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1109592
(5Z)-2-(3,5-dimethylphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135592688

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one?
The IUPAC name of 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one (CID 175310610) is 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one.
What is the SMILES notation for 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one?
The canonical SMILES for 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one is O=C1NC(c2ccccc2)=CC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one?
The InChIKey is OMAZMDAJYJKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-21-16(13-19(22-21)14-4-2-1-3-5-14)12-18-10-11-20(27-18)15-6-8-17(9-7-15)23(25)26/h1-13H,(H,22,24).
What are the key properties of 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one?
3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one has a molecular weight of 358.35 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one is sourced from PubChem (CID 175310610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).