(Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile

C16H15N3O — CID 46193792

IUPAC(Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile
SMILESC=Cn1ccnc1C(C)O/C(=C\C#N)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-3-19-12-11-18-16(19)13(2)20-15(9-10-17)14-7-5-4-6-8-14/h3-9,11-13H,1H2,2H3/b15-9-
InChIKeyHVBBIBLBEYUERV-DHDCSXOGSA-N
MW265.32 g/mol
LogP3.63
Rot. Bonds5

About (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile

(Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile (PubChem CID 46193792) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile
PubChem CID46193792
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile
SMILESC=Cn1ccnc1C(C)O/C(=C\C#N)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-3-19-12-11-18-16(19)13(2)20-15(9-10-17)14-7-5-4-6-8-14/h3-9,11-13H,1H2,2H3/b15-9-
InChIKeyHVBBIBLBEYUERV-DHDCSXOGSA-N
XLogP3.63
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[1-(1-ethylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile
CID 46193643
(E)-3-(1-methylimidazol-2-yl)-3-phenylprop-2-enenitrile
CID 102421833
2-benzoyl-3-(1-ethenylpyrrol-2-yl)-3-(1-methylimidazol-2-yl)propanenitrile
CID 134838270
3-ethoxy-3-phenylprop-2-enenitrile
CID 86091715
(E)-3-phenoxy-3-phenylprop-2-enenitrile
CID 66560639
benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
(Z)-4-methyl-3-phenylpent-2-enenitrile
CID 23262622
(E)-4-methyl-3-phenylpent-2-enenitrile
CID 13354635
(Z)-3-phenyl-3-propan-2-ylsulfanylprop-2-enenitrile
CID 168744985
3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
(4Z)-5-methoxy-5-phenyl-3-(trifluoromethyl)penta-2,4-dienenitrile
CID 134849106
(Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile
CID 66559661

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile (CID 46193792) is (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile is C=Cn1ccnc1C(C)O/C(=C\C#N)c1ccccc1.
What is the InChIKey of (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile?
The InChIKey is HVBBIBLBEYUERV-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-19-12-11-18-16(19)13(2)20-15(9-10-17)14-7-5-4-6-8-14/h3-9,11-13H,1H2,2H3/b15-9-.
What are the key properties of (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile?
(Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile has a molecular weight of 265.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-(1-ethenylimidazol-2-yl)ethoxy]-3-phenylprop-2-enenitrile is sourced from PubChem (CID 46193792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).