4-[bis(prop-2-enyl)amino]benzonitrile

C13H14N2 — CID 15882264

IUPAC4-[bis(prop-2-enyl)amino]benzonitrile
SMILESC=CCN(CC=C)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N2/c1-3-9-15(10-4-2)13-7-5-12(11-14)6-8-13/h3-8H,1-2,9-10H2
InChIKeyCMHKGZDEAJRKLP-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.74
Rot. Bonds5

About 4-[bis(prop-2-enyl)amino]benzonitrile

4-[bis(prop-2-enyl)amino]benzonitrile (PubChem CID 15882264) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]benzonitrile
PubChem CID15882264
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4-[bis(prop-2-enyl)amino]benzonitrile
SMILESC=CCN(CC=C)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N2/c1-3-9-15(10-4-2)13-7-5-12(11-14)6-8-13/h3-8H,1-2,9-10H2
InChIKeyCMHKGZDEAJRKLP-UHFFFAOYSA-N
XLogP2.74
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(prop-2-enyl)amino]benzonitrile
CID 78958833
4-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
CID 11817064
4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline
CID 139763508
4-(4-cyano-N-ethylanilino)benzonitrile
CID 102137566
3-[4-[bis(prop-2-enyl)amino]phenyl]-2-cyanoprop-2-enoic acid
CID 78145372
4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
CID 122213213
4-(ethenylamino)benzonitrile
CID 89387089
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027
4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline
CID 139763507
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
CID 13007572
4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
CID 70463488

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]benzonitrile?
The IUPAC name of 4-[bis(prop-2-enyl)amino]benzonitrile (CID 15882264) is 4-[bis(prop-2-enyl)amino]benzonitrile.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]benzonitrile?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]benzonitrile is C=CCN(CC=C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]benzonitrile?
The InChIKey is CMHKGZDEAJRKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-3-9-15(10-4-2)13-7-5-12(11-14)6-8-13/h3-8H,1-2,9-10H2.
What are the key properties of 4-[bis(prop-2-enyl)amino]benzonitrile?
4-[bis(prop-2-enyl)amino]benzonitrile has a molecular weight of 198.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]benzonitrile is sourced from PubChem (CID 15882264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).