2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile

C19H20N2O — CID 11415117

IUPAC2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile
SMILESCN(C)CCO/C=C(/c1ccccc1)c1ccccc1C#N
InChIInChI=1S/C19H20N2O/c1-21(2)12-13-22-15-19(16-8-4-3-5-9-16)18-11-7-6-10-17(18)14-20/h3-11,15H,12-13H2,1-2H3/b19-15-
InChIKeyYPVCSENYLWMJML-CYVLTUHYSA-N
MW292.38 g/mol
LogP3.53
Rot. Bonds6

About 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile

2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile (PubChem CID 11415117) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile
PubChem CID11415117
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile
SMILESCN(C)CCO/C=C(/c1ccccc1)c1ccccc1C#N
InChIInChI=1S/C19H20N2O/c1-21(2)12-13-22-15-19(16-8-4-3-5-9-16)18-11-7-6-10-17(18)14-20/h3-11,15H,12-13H2,1-2H3/b19-15-
InChIKeyYPVCSENYLWMJML-CYVLTUHYSA-N
XLogP3.53
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile?
The IUPAC name of 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile (CID 11415117) is 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile.
What is the SMILES notation for 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile?
The canonical SMILES for 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile is CN(C)CCO/C=C(/c1ccccc1)c1ccccc1C#N.
What is the InChIKey of 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile?
The InChIKey is YPVCSENYLWMJML-CYVLTUHYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-21(2)12-13-22-15-19(16-8-4-3-5-9-16)18-11-7-6-10-17(18)14-20/h3-11,15H,12-13H2,1-2H3/b19-15-.
What are the key properties of 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile?
2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile has a molecular weight of 292.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]benzonitrile is sourced from PubChem (CID 11415117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).