2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile

C14H12N2O2 — CID 781688

IUPAC2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCc1oc(N=Cc2ccccc2O)c(C#N)c1C
InChIInChI=1S/C14H12N2O2/c1-9-10(2)18-14(12(9)7-15)16-8-11-5-3-4-6-13(11)17/h3-6,8,17H,1-2H3
InChIKeyKWCGSFZYZYJEML-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.22
Rot. Bonds2

About 2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile

2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile (PubChem CID 781688) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
PubChem CID781688
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCc1oc(N=Cc2ccccc2O)c(C#N)c1C
InChIInChI=1S/C14H12N2O2/c1-9-10(2)18-14(12(9)7-15)16-8-11-5-3-4-6-13(11)17/h3-6,8,17H,1-2H3
InChIKeyKWCGSFZYZYJEML-UHFFFAOYSA-N
XLogP3.22
TPSA69.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.22
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-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile (CID 781688) is 2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile is Cc1oc(N=Cc2ccccc2O)c(C#N)c1C.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The InChIKey is KWCGSFZYZYJEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-10(2)18-14(12(9)7-15)16-8-11-5-3-4-6-13(11)17/h3-6,8,17H,1-2H3.
What are the key properties of 2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile is sourced from PubChem (CID 781688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).