4-(ethenylamino)benzonitrile

C9H8N2 — CID 89387089

IUPAC4-(ethenylamino)benzonitrile
SMILESC=CNc1ccc(C#N)cc1
InChIInChI=1S/C9H8N2/c1-2-11-9-5-3-8(7-10)4-6-9/h2-6,11H,1H2
InChIKeyNPYORKJPQLFBDU-UHFFFAOYSA-N
MW144.18 g/mol
LogP2.11
Rot. Bonds2

About 4-(ethenylamino)benzonitrile

4-(ethenylamino)benzonitrile (PubChem CID 89387089) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 4-(ethenylamino)benzonitrile.

Molecular Properties

Compound Name4-(ethenylamino)benzonitrile
PubChem CID89387089
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name4-(ethenylamino)benzonitrile
SMILESC=CNc1ccc(C#N)cc1
InChIInChI=1S/C9H8N2/c1-2-11-9-5-3-8(7-10)4-6-9/h2-6,11H,1H2
InChIKeyNPYORKJPQLFBDU-UHFFFAOYSA-N
XLogP2.11
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;benzene-1,4-dicarbonitrile
CID 174336566
N,4-bis(ethenyl)aniline
CID 21060901
4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile
CID 101467306
4-[bis(prop-2-enyl)amino]benzonitrile
CID 15882264
4-[[4-(methylamino)phenyl]methyl]benzonitrile
CID 147207222
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
4-(4-iodoanilino)benzonitrile
CID 28976683
N-ethenyl-4-(fluoromethyl)aniline
CID 163560562
N-methylmethanamine;4-prop-2-enylbenzonitrile
CID 142157746
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
CID 134881879
CID 134881879
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909

Frequently Asked Questions

What is the IUPAC name of 4-(ethenylamino)benzonitrile?
The IUPAC name of 4-(ethenylamino)benzonitrile (CID 89387089) is 4-(ethenylamino)benzonitrile.
What is the SMILES notation for 4-(ethenylamino)benzonitrile?
The canonical SMILES for 4-(ethenylamino)benzonitrile is C=CNc1ccc(C#N)cc1.
What is the InChIKey of 4-(ethenylamino)benzonitrile?
The InChIKey is NPYORKJPQLFBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-11-9-5-3-8(7-10)4-6-9/h2-6,11H,1H2.
What are the key properties of 4-(ethenylamino)benzonitrile?
4-(ethenylamino)benzonitrile has a molecular weight of 144.18 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenylamino)benzonitrile is sourced from PubChem (CID 89387089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).