(Z)-2-anilino-4-phenylbut-2-enenitrile

C16H14N2 — CID 6378031

IUPAC(Z)-2-anilino-4-phenylbut-2-enenitrile
SMILESN#C/C(=C/Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H14N2/c17-13-16(18-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,12,18H,11H2/b16-12-
InChIKeyPQXJWVWZZGZNBE-VBKFSLOCSA-N
MW234.30 g/mol
LogP3.75
Rot. Bonds4

About (Z)-2-anilino-4-phenylbut-2-enenitrile

(Z)-2-anilino-4-phenylbut-2-enenitrile (PubChem CID 6378031) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (Z)-2-anilino-4-phenylbut-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-anilino-4-phenylbut-2-enenitrile
PubChem CID6378031
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name(Z)-2-anilino-4-phenylbut-2-enenitrile
SMILESN#C/C(=C/Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H14N2/c17-13-16(18-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,12,18H,11H2/b16-12-
InChIKeyPQXJWVWZZGZNBE-VBKFSLOCSA-N
XLogP3.75
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 ≤ 53.75
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 (Z)-2-anilino-4-phenylbut-2-enenitrile?
The IUPAC name of (Z)-2-anilino-4-phenylbut-2-enenitrile (CID 6378031) is (Z)-2-anilino-4-phenylbut-2-enenitrile.
What is the SMILES notation for (Z)-2-anilino-4-phenylbut-2-enenitrile?
The canonical SMILES for (Z)-2-anilino-4-phenylbut-2-enenitrile is N#C/C(=C/Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of (Z)-2-anilino-4-phenylbut-2-enenitrile?
The InChIKey is PQXJWVWZZGZNBE-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H14N2/c17-13-16(18-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,12,18H,11H2/b16-12-.
What are the key properties of (Z)-2-anilino-4-phenylbut-2-enenitrile?
(Z)-2-anilino-4-phenylbut-2-enenitrile has a molecular weight of 234.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-anilino-4-phenylbut-2-enenitrile is sourced from PubChem (CID 6378031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).