2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile

C17H12N2O — CID 59920416

IUPAC2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile
SMILESCC(=Cc1ccccc1)c1ccc(C=C(C#N)C#N)o1
InChIInChI=1S/C17H12N2O/c1-13(9-14-5-3-2-4-6-14)17-8-7-16(20-17)10-15(11-18)12-19/h2-10H,1H3
InChIKeyWXJGGDYRWIUQBS-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.27
Rot. Bonds3

About 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile

2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile (PubChem CID 59920416) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile
PubChem CID59920416
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile
SMILESCC(=Cc1ccccc1)c1ccc(C=C(C#N)C#N)o1
InChIInChI=1S/C17H12N2O/c1-13(9-14-5-3-2-4-6-14)17-8-7-16(20-17)10-15(11-18)12-19/h2-10H,1H3
InChIKeyWXJGGDYRWIUQBS-UHFFFAOYSA-N
XLogP4.27
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.27
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

2-benzylidene-4-methylpent-3-enenitrile
CID 71357949
2-[[5-[(E)-2-phenyl-2-(4-phenylphenyl)ethenyl]furan-2-yl]methylidene]propanedinitrile
CID 22899761
2-[[5-(4-phenylpiperazin-1-yl)furan-2-yl]methylidene]propanedinitrile
CID 71372843
2-[[5-(1-methylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile
CID 129307548
2-[[5-(1-phenylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile
CID 129307554
2-benzylidenepropanedinitrile;1-chloropentane
CID 175325139
2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]propanedinitrile
CID 736983
(E,2E)-2-benzylidene-3-hydroxyhex-4-enenitrile
CID 101045564
2-[[4-(2-methylpropyl)phenyl]methylidene]propanedinitrile
CID 19101028
4-[(Z)-1-phenylprop-1-en-2-yl]pyridine
CID 14770496
2-[[3,5-bis(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile
CID 100969781
2-[(E)-3-[5-[5-[5-(2,2-dicyanoethenyl)furan-2-yl]-1-phenylpyrrol-2-yl]furan-2-yl]prop-2-enylidene]propanedinitrile
CID 137390612

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile (CID 59920416) is 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile is CC(=Cc1ccccc1)c1ccc(C=C(C#N)C#N)o1.
What is the InChIKey of 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile?
The InChIKey is WXJGGDYRWIUQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-13(9-14-5-3-2-4-6-14)17-8-7-16(20-17)10-15(11-18)12-19/h2-10H,1H3.
What are the key properties of 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile?
2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile has a molecular weight of 260.30 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-phenylprop-1-en-2-yl)furan-2-yl]methylidene]propanedinitrile is sourced from PubChem (CID 59920416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).