4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile

C10H7N3 — CID 118357400

IUPAC4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile
SMILESN#C/C=C(\N)c1ccc(C#N)cc1
InChIInChI=1S/C10H7N3/c11-6-5-10(13)9-3-1-8(7-12)2-4-9/h1-5H,13H2/b10-5-
InChIKeyFZCLYLNIPMOCRE-YHYXMXQVSA-N
MW169.19 g/mol
LogP1.38
Rot. Bonds1

About 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile

4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile (PubChem CID 118357400) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile
PubChem CID118357400
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile
SMILESN#C/C=C(\N)c1ccc(C#N)cc1
InChIInChI=1S/C10H7N3/c11-6-5-10(13)9-3-1-8(7-12)2-4-9/h1-5H,13H2/b10-5-
InChIKeyFZCLYLNIPMOCRE-YHYXMXQVSA-N
XLogP1.38
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-(4-iodophenyl)prop-2-enenitrile
CID 70508025
3-[(Z)-1-amino-2-cyanoethenyl]benzonitrile
CID 12540170
3-amino-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enenitrile
CID 67179938
4-[1,2-dichloro-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 139674424
3-amino-3-thiophen-3-ylprop-2-enenitrile
CID 54536012
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[2-(4-cyanophenyl)ethenyl]benzoic acid
CID 70535235
carbamoyl 4-cyanobenzoate
CID 174813888
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
4-(1-chloro-2-methylprop-1-enyl)benzonitrile
CID 142971985
N-[(Z)-2-amino-2-(4-cyanophenyl)-1-(4-methylphenyl)ethenyl]formamide
CID 146626788
4-cyano-N-methylsulfonylbenzamide
CID 47232721

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile (CID 118357400) is 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile is N#C/C=C(\N)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile?
The InChIKey is FZCLYLNIPMOCRE-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H7N3/c11-6-5-10(13)9-3-1-8(7-12)2-4-9/h1-5H,13H2/b10-5-.
What are the key properties of 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile?
4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile has a molecular weight of 169.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile is sourced from PubChem (CID 118357400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).