4-(4-anilinophenyl)but-3-enenitrile

C16H14N2 — CID 90791121

IUPAC4-(4-anilinophenyl)but-3-enenitrile
SMILESN#CCC=Cc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H14N2/c17-13-5-4-6-14-9-11-16(12-10-14)18-15-7-2-1-3-8-15/h1-4,6-12,18H,5H2
InChIKeyUKBJHJPSUJUIKV-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.36
Rot. Bonds4

About 4-(4-anilinophenyl)but-3-enenitrile

4-(4-anilinophenyl)but-3-enenitrile (PubChem CID 90791121) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(4-anilinophenyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(4-anilinophenyl)but-3-enenitrile
PubChem CID90791121
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-(4-anilinophenyl)but-3-enenitrile
SMILESN#CCC=Cc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H14N2/c17-13-5-4-6-14-9-11-16(12-10-14)18-15-7-2-1-3-8-15/h1-4,6-12,18H,5H2
InChIKeyUKBJHJPSUJUIKV-UHFFFAOYSA-N
XLogP4.36
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinophenyl)but-3-enenitrile?
The IUPAC name of 4-(4-anilinophenyl)but-3-enenitrile (CID 90791121) is 4-(4-anilinophenyl)but-3-enenitrile.
What is the SMILES notation for 4-(4-anilinophenyl)but-3-enenitrile?
The canonical SMILES for 4-(4-anilinophenyl)but-3-enenitrile is N#CCC=Cc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-(4-anilinophenyl)but-3-enenitrile?
The InChIKey is UKBJHJPSUJUIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-13-5-4-6-14-9-11-16(12-10-14)18-15-7-2-1-3-8-15/h1-4,6-12,18H,5H2.
What are the key properties of 4-(4-anilinophenyl)but-3-enenitrile?
4-(4-anilinophenyl)but-3-enenitrile has a molecular weight of 234.30 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinophenyl)but-3-enenitrile is sourced from PubChem (CID 90791121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).