3-(2-anilinophenyl)prop-2-enenitrile

C15H12N2 — CID 169484284

IUPAC3-(2-anilinophenyl)prop-2-enenitrile
SMILESN#CC=Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C15H12N2/c16-12-6-8-13-7-4-5-11-15(13)17-14-9-2-1-3-10-14/h1-11,17H
InChIKeyYTYNULZEPKTGTF-UHFFFAOYSA-N
MW220.28 g/mol
LogP3.97
Rot. Bonds3

About 3-(2-anilinophenyl)prop-2-enenitrile

3-(2-anilinophenyl)prop-2-enenitrile (PubChem CID 169484284) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-(2-anilinophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(2-anilinophenyl)prop-2-enenitrile
PubChem CID169484284
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name3-(2-anilinophenyl)prop-2-enenitrile
SMILESN#CC=Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C15H12N2/c16-12-6-8-13-7-4-5-11-15(13)17-14-9-2-1-3-10-14/h1-11,17H
InChIKeyYTYNULZEPKTGTF-UHFFFAOYSA-N
XLogP3.97
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilinophenyl)prop-2-enenitrile?
The IUPAC name of 3-(2-anilinophenyl)prop-2-enenitrile (CID 169484284) is 3-(2-anilinophenyl)prop-2-enenitrile.
What is the SMILES notation for 3-(2-anilinophenyl)prop-2-enenitrile?
The canonical SMILES for 3-(2-anilinophenyl)prop-2-enenitrile is N#CC=Cc1ccccc1Nc1ccccc1.
What is the InChIKey of 3-(2-anilinophenyl)prop-2-enenitrile?
The InChIKey is YTYNULZEPKTGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c16-12-6-8-13-7-4-5-11-15(13)17-14-9-2-1-3-10-14/h1-11,17H.
What are the key properties of 3-(2-anilinophenyl)prop-2-enenitrile?
3-(2-anilinophenyl)prop-2-enenitrile has a molecular weight of 220.28 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilinophenyl)prop-2-enenitrile is sourced from PubChem (CID 169484284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).