2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile

C17H18N2S — CID 54433898

IUPAC2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile
SMILESCN(C)C(C#N)(CC=Cc1cccs1)c1ccccc1
InChIInChI=1S/C17H18N2S/c1-19(2)17(14-18,15-8-4-3-5-9-15)12-6-10-16-11-7-13-20-16/h3-11,13H,12H2,1-2H3
InChIKeyWJJWPWFXVWSNHQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.13
Rot. Bonds5

About 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile

2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile (PubChem CID 54433898) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile
PubChem CID54433898
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile
SMILESCN(C)C(C#N)(CC=Cc1cccs1)c1ccccc1
InChIInChI=1S/C17H18N2S/c1-19(2)17(14-18,15-8-4-3-5-9-15)12-6-10-16-11-7-13-20-16/h3-11,13H,12H2,1-2H3
InChIKeyWJJWPWFXVWSNHQ-UHFFFAOYSA-N
XLogP4.13
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
4-thiophen-2-ylbut-3-enenitrile
CID 170799049
2-(dimethylamino)-2-phenylhexanenitrile
CID 44719412
N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine
CID 139632410
(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine
CID 20603575
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile
CID 67836542
methyl-[2-[(1E)-4-methyl-1-thiophen-2-ylhepta-1,6-dien-4-yl]phenyl]azanium
CID 143792813
(E)-N-[(2S)-2-hydroxy-2-phenylpropyl]-3-thiophen-2-ylprop-2-enamide
CID 95367977
2-(4-chlorobut-1-enyl)thiophene
CID 79002392
(1E)-3-methyl-1-thiophen-2-ylhexa-1,5-dien-3-ol
CID 12024399
2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
CID 15579968

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile?
The IUPAC name of 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile (CID 54433898) is 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile.
What is the SMILES notation for 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile?
The canonical SMILES for 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile is CN(C)C(C#N)(CC=Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile?
The InChIKey is WJJWPWFXVWSNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-19(2)17(14-18,15-8-4-3-5-9-15)12-6-10-16-11-7-13-20-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile?
2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile has a molecular weight of 282.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile is sourced from PubChem (CID 54433898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).