4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile

C15H10N2O — CID 2968800

IUPAC4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile
SMILESCc1ccc(C=C(C#N)c2ccc(C#N)cc2)o1
InChIInChI=1S/C15H10N2O/c1-11-2-7-15(18-11)8-14(10-17)13-5-3-12(9-16)4-6-13/h2-8H,1H3
InChIKeySILXKNLMWTZDCR-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.52
Rot. Bonds2

About 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile

4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile (PubChem CID 2968800) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile
PubChem CID2968800
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile
SMILESCc1ccc(C=C(C#N)c2ccc(C#N)cc2)o1
InChIInChI=1S/C15H10N2O/c1-11-2-7-15(18-11)8-14(10-17)13-5-3-12(9-16)4-6-13/h2-8H,1H3
InChIKeySILXKNLMWTZDCR-UHFFFAOYSA-N
XLogP3.52
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-1-cyano-2-(5-iodofuran-2-yl)ethenyl]benzonitrile
CID 2231926
4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967469
4-[(E)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967455
4-[(E)-1-cyano-2-(3,5-dibromo-4-methylphenyl)ethenyl]benzonitrile
CID 126373068
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374853
4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile
CID 2232217
4-[(Z)-1-cyano-2-methoxyethenyl]benzonitrile
CID 13444746
(E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile
CID 2224950
4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
CID 935173
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile
CID 967403
propan-2-yl (E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoate
CID 679324

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile (CID 2968800) is 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile is Cc1ccc(C=C(C#N)c2ccc(C#N)cc2)o1.
What is the InChIKey of 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile?
The InChIKey is SILXKNLMWTZDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c1-11-2-7-15(18-11)8-14(10-17)13-5-3-12(9-16)4-6-13/h2-8H,1H3.
What are the key properties of 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile?
4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile is sourced from PubChem (CID 2968800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).