(3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one

C31H20N2O4 — CID 6513184

IUPAC(3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
SMILESO=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccc2ccccc12
InChIInChI=1S/C31H20N2O4/c34-31-24(19-26-17-18-30(37-26)23-13-15-25(16-14-23)33(35)36)20-29(22-8-2-1-3-9-22)32(31)28-12-6-10-21-7-4-5-11-27(21)28/h1-20H/b24-19+
InChIKeyCVDXAOCWCNCDBD-LYBHJNIJSA-N
MW484.51 g/mol
LogP7.48
Rot. Bonds5

About (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one

(3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one (PubChem CID 6513184) has the molecular formula C31H20N2O4 and a molecular weight of 484.51 g/mol. Its IUPAC name is (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one.

Molecular Properties

Compound Name(3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
PubChem CID6513184
Molecular FormulaC31H20N2O4
Molecular Weight484.51 g/mol
Exact Mass484.14
IUPAC Name(3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
SMILESO=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccc2ccccc12
InChIInChI=1S/C31H20N2O4/c34-31-24(19-26-17-18-30(37-26)23-13-15-25(16-14-23)33(35)36)20-29(22-8-2-1-3-9-22)32(31)28-12-6-10-21-7-4-5-11-27(21)28/h1-20H/b24-19+
InChIKeyCVDXAOCWCNCDBD-LYBHJNIJSA-N
XLogP7.48
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 57.48
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one?
The IUPAC name of (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one (CID 6513184) is (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one.
What is the SMILES notation for (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one?
The canonical SMILES for (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one is O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccc2ccccc12.
What is the InChIKey of (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one?
The InChIKey is CVDXAOCWCNCDBD-LYBHJNIJSA-N. The full InChI is InChI=1S/C31H20N2O4/c34-31-24(19-26-17-18-30(37-26)23-13-15-25(16-14-23)33(35)36)20-29(22-8-2-1-3-9-22)32(31)28-12-6-10-21-7-4-5-11-27(21)28/h1-20H/b24-19+.
What are the key properties of (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one?
(3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one has a molecular weight of 484.51 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one is sourced from PubChem (CID 6513184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).