4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile

C20H11N3O3 — CID 967469

IUPAC4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
SMILESN#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C#N)cc1
InChIInChI=1S/C20H11N3O3/c21-12-14-1-3-15(4-2-14)17(13-22)11-19-9-10-20(26-19)16-5-7-18(8-6-16)23(24)25/h1-11H/b17-11+
InChIKeyLNDTWLOSCABAHZ-GZTJUZNOSA-N
MW341.33 g/mol
LogP4.79
Rot. Bonds4

About 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile

4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile (PubChem CID 967469) has the molecular formula C20H11N3O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
PubChem CID967469
Molecular FormulaC20H11N3O3
Molecular Weight341.33 g/mol
Exact Mass341.08
IUPAC Name4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
SMILESN#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C#N)cc1
InChIInChI=1S/C20H11N3O3/c21-12-14-1-3-15(4-2-14)17(13-22)11-19-9-10-20(26-19)16-5-7-18(8-6-16)23(24)25/h1-11H/b17-11+
InChIKeyLNDTWLOSCABAHZ-GZTJUZNOSA-N
XLogP4.79
TPSA103.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
CID 3704591
(E)-3-[5-(3-bromo-4-methylphenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 2212032
4-[(E)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967455
(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 126397647
2-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 4710166
(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
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
(E)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374787
(E)-3-[5-(2,4-dichloro-5-nitrophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 126218861
4-chloro-3-[5-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]furan-2-yl]benzoic acid
CID 126223440
3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 2964036

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile (CID 967469) is 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile is N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile?
The InChIKey is LNDTWLOSCABAHZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H11N3O3/c21-12-14-1-3-15(4-2-14)17(13-22)11-19-9-10-20(26-19)16-5-7-18(8-6-16)23(24)25/h1-11H/b17-11+.
What are the key properties of 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile?
4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile has a molecular weight of 341.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile is sourced from PubChem (CID 967469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).