2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile

C18H12N2O2 — CID 135501750

IUPAC2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)oc1/N=C/c1ccccc1O
InChIInChI=1S/C18H12N2O2/c19-11-15-10-17(13-6-2-1-3-7-13)22-18(15)20-12-14-8-4-5-9-16(14)21/h1-10,12,21H/b20-12+
InChIKeyYGKAPNHRYVQTIE-UDWIEESQSA-N
MW288.31 g/mol
LogP4.27
Rot. Bonds3

About 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile

2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile (PubChem CID 135501750) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
PubChem CID135501750
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)oc1/N=C/c1ccccc1O
InChIInChI=1S/C18H12N2O2/c19-11-15-10-17(13-6-2-1-3-7-13)22-18(15)20-12-14-8-4-5-9-16(14)21/h1-10,12,21H/b20-12+
InChIKeyYGKAPNHRYVQTIE-UDWIEESQSA-N
XLogP4.27
TPSA69.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
The IUPAC name of 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile (CID 135501750) is 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
The canonical SMILES for 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile is N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
The InChIKey is YGKAPNHRYVQTIE-UDWIEESQSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-11-15-10-17(13-6-2-1-3-7-13)22-18(15)20-12-14-8-4-5-9-16(14)21/h1-10,12,21H/b20-12+.
What are the key properties of 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile is sourced from PubChem (CID 135501750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).