2-(dimethylamino)-4-phenylbut-3-enenitrile

C12H14N2 — CID 73110319

IUPAC2-(dimethylamino)-4-phenylbut-3-enenitrile
SMILESCN(C)C(C#N)C=Cc1ccccc1
InChIInChI=1S/C12H14N2/c1-14(2)12(10-13)9-8-11-6-4-3-5-7-11/h3-9,12H,1-2H3
InChIKeyZAYFMFALEVFTAF-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.15
Rot. Bonds3

About 2-(dimethylamino)-4-phenylbut-3-enenitrile

2-(dimethylamino)-4-phenylbut-3-enenitrile (PubChem CID 73110319) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(dimethylamino)-4-phenylbut-3-enenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-4-phenylbut-3-enenitrile
PubChem CID73110319
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(dimethylamino)-4-phenylbut-3-enenitrile
SMILESCN(C)C(C#N)C=Cc1ccccc1
InChIInChI=1S/C12H14N2/c1-14(2)12(10-13)9-8-11-6-4-3-5-7-11/h3-9,12H,1-2H3
InChIKeyZAYFMFALEVFTAF-UHFFFAOYSA-N
XLogP2.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-methylanilino)-4-phenylbut-3-enenitrile
CID 71339766
2-[(E)-2-phenylethenyl]pentanenitrile
CID 102025901
N,N-dimethylmethanamine;stilbene
CID 174368184
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(E)-2-cyclopropyl-4-phenylbut-3-enenitrile
CID 102130816
1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine
CID 54056378
(1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine
CID 101034524
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile
CID 151230311
1-phenylpent-1-en-4-yn-3-ol
CID 570771
3-phenylprop-2-ene-1,1-diol
CID 54432533

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-phenylbut-3-enenitrile?
The IUPAC name of 2-(dimethylamino)-4-phenylbut-3-enenitrile (CID 73110319) is 2-(dimethylamino)-4-phenylbut-3-enenitrile.
What is the SMILES notation for 2-(dimethylamino)-4-phenylbut-3-enenitrile?
The canonical SMILES for 2-(dimethylamino)-4-phenylbut-3-enenitrile is CN(C)C(C#N)C=Cc1ccccc1.
What is the InChIKey of 2-(dimethylamino)-4-phenylbut-3-enenitrile?
The InChIKey is ZAYFMFALEVFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-14(2)12(10-13)9-8-11-6-4-3-5-7-11/h3-9,12H,1-2H3.
What are the key properties of 2-(dimethylamino)-4-phenylbut-3-enenitrile?
2-(dimethylamino)-4-phenylbut-3-enenitrile has a molecular weight of 186.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-phenylbut-3-enenitrile is sourced from PubChem (CID 73110319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).