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

C16H14N2 — CID 170800636

IUPAC4-(3-anilinophenyl)but-3-enenitrile
SMILESN#CCC=Cc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H14N2/c17-12-5-4-7-14-8-6-11-16(13-14)18-15-9-2-1-3-10-15/h1-4,6-11,13,18H,5H2
InChIKeyUAGLACHFZJFCJP-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.36
Rot. Bonds4

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

4-(3-anilinophenyl)but-3-enenitrile (PubChem CID 170800636) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(3-anilinophenyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(3-anilinophenyl)but-3-enenitrile
PubChem CID170800636
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-(3-anilinophenyl)but-3-enenitrile
SMILESN#CCC=Cc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H14N2/c17-12-5-4-7-14-8-6-11-16(13-14)18-15-9-2-1-3-10-15/h1-4,6-11,13,18H,5H2
InChIKeyUAGLACHFZJFCJP-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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Related Compounds

4-(4-anilinophenyl)but-3-enenitrile
CID 90791121
4-[3-(aminomethyl)phenyl]but-3-enenitrile
CID 170799388
3-(3-methylbuta-1,3-dienyl)-N-phenylaniline
CID 91209631
tert-butyl N-[4-(3-anilinophenyl)but-3-enyl]carbamate
CID 170491415
4-(4-phenoxyphenyl)but-3-enenitrile
CID 170800627
4-(3-morpholin-4-ylphenyl)but-3-enenitrile
CID 170800492
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
4-pyridin-3-ylbut-3-enenitrile
CID 170799077
(3E)-3-(phenylhydrazinylidene)propanenitrile
CID 12847960
4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile
CID 170800688
4-(2-bromo-4-pyridinyl)but-3-enenitrile
CID 170800715
4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilinophenyl)but-3-enenitrile?
The IUPAC name of 4-(3-anilinophenyl)but-3-enenitrile (CID 170800636) is 4-(3-anilinophenyl)but-3-enenitrile.
What is the SMILES notation for 4-(3-anilinophenyl)but-3-enenitrile?
The canonical SMILES for 4-(3-anilinophenyl)but-3-enenitrile is N#CCC=Cc1cccc(Nc2ccccc2)c1.
What is the InChIKey of 4-(3-anilinophenyl)but-3-enenitrile?
The InChIKey is UAGLACHFZJFCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-12-5-4-7-14-8-6-11-16(13-14)18-15-9-2-1-3-10-15/h1-4,6-11,13,18H,5H2.
What are the key properties of 4-(3-anilinophenyl)but-3-enenitrile?
4-(3-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-(3-anilinophenyl)but-3-enenitrile is sourced from PubChem (CID 170800636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).