2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile

C19H12N2O3 — CID 3704591

IUPAC2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H12N2O3/c20-13-16(14-6-8-17(9-7-14)21(22)23)12-18-10-11-19(24-18)15-4-2-1-3-5-15/h1-12H
InChIKeyIZOUSMNMENACPH-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.92
Rot. Bonds4

About 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile

2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile (PubChem CID 3704591) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
PubChem CID3704591
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H12N2O3/c20-13-16(14-6-8-17(9-7-14)21(22)23)12-18-10-11-19(24-18)15-4-2-1-3-5-15/h1-12H
InChIKeyIZOUSMNMENACPH-UHFFFAOYSA-N
XLogP4.92
TPSA80.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', '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

4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967469
(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 126397647
(E)-3-[5-(3-bromo-4-methylphenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 2212032
3-[5-(2-nitrophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
CID 941435
(E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 7263320
3-[5-(4-chlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 3392732
4-chloro-3-[5-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]furan-2-yl]benzoic acid
CID 126223440
2-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 4710166
2-(1,3-benzothiazol-2-yl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 3566999
(E)-3-[5-(2,4-dichloro-5-nitrophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 126218861
4-[(E)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967455
4-[2-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-cyanoethenyl]benzoic acid
CID 4306604

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile (CID 3704591) is 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile is N#CC(=Cc1ccc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile?
The InChIKey is IZOUSMNMENACPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c20-13-16(14-6-8-17(9-7-14)21(22)23)12-18-10-11-19(24-18)15-4-2-1-3-5-15/h1-12H.
What are the key properties of 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile?
2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile has a molecular weight of 316.32 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 3704591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).