(5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile

C14H12N2O2 — CID 6538287

IUPAC(5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile
SMILESCN(C)/C=C1\OC(=O)C(C#N)=C1c1ccccc1
InChIInChI=1S/C14H12N2O2/c1-16(2)9-12-13(10-6-4-3-5-7-10)11(8-15)14(17)18-12/h3-7,9H,1-2H3/b12-9-
InChIKeyGWZYSXKZOOVIDP-XFXZXTDPSA-N
MW240.26 g/mol
LogP1.92
Rot. Bonds2

About (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile

(5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile (PubChem CID 6538287) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile
PubChem CID6538287
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile
SMILESCN(C)/C=C1\OC(=O)C(C#N)=C1c1ccccc1
InChIInChI=1S/C14H12N2O2/c1-16(2)9-12-13(10-6-4-3-5-7-10)11(8-15)14(17)18-12/h3-7,9H,1-2H3/b12-9-
InChIKeyGWZYSXKZOOVIDP-XFXZXTDPSA-N
XLogP1.92
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile (CID 6538287) is (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile is CN(C)/C=C1\OC(=O)C(C#N)=C1c1ccccc1.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile?
The InChIKey is GWZYSXKZOOVIDP-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-16(2)9-12-13(10-6-4-3-5-7-10)11(8-15)14(17)18-12/h3-7,9H,1-2H3/b12-9-.
What are the key properties of (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile?
(5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile is sourced from PubChem (CID 6538287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).