2-(dimethylamino)-4-phenylpent-2-enenitrile

C13H16N2 — CID 131855342

IUPAC2-(dimethylamino)-4-phenylpent-2-enenitrile
SMILESCC(C=C(C#N)N(C)C)c1ccccc1
InChIInChI=1S/C13H16N2/c1-11(9-13(10-14)15(2)3)12-7-5-4-6-8-12/h4-9,11H,1-3H3
InChIKeyMJPDKBWEMUDGCG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.76
Rot. Bonds3

About 2-(dimethylamino)-4-phenylpent-2-enenitrile

2-(dimethylamino)-4-phenylpent-2-enenitrile (PubChem CID 131855342) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(dimethylamino)-4-phenylpent-2-enenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-4-phenylpent-2-enenitrile
PubChem CID131855342
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-(dimethylamino)-4-phenylpent-2-enenitrile
SMILESCC(C=C(C#N)N(C)C)c1ccccc1
InChIInChI=1S/C13H16N2/c1-11(9-13(10-14)15(2)3)12-7-5-4-6-8-12/h4-9,11H,1-3H3
InChIKeyMJPDKBWEMUDGCG-UHFFFAOYSA-N
XLogP2.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-4-phenylpent-2-enoic acid
CID 107293057
2-cyano-4-phenylpent-2-enamide
CID 3282081
(Z,4S,5S)-5-hydroxy-2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4,5-diphenylpent-2-enenitrile
CID 10251124
(Z,4S)-2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4-phenyl-4-phenylsulfanylbut-2-enenitrile
CID 10070418
2-[2-(4-chlorophenyl)propylidene]propanedinitrile
CID 11413295
(Z)-1,3-diphenylbut-1-en-1-amine
CID 142293651
(E)-2-(N-methylanilino)but-2-enenitrile
CID 14812335
ethane;2-phenylpropanenitrile
CID 91366777
methyl(1-phenylethyl)cyanamide
CID 117029364
(2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile
CID 177425455
[(E,2R)-4-ethoxypent-3-en-2-yl]benzene
CID 59915630
2-[(E)-3-(dimethylamino)-3-phenylprop-2-enylidene]propanedinitrile
CID 99722803

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-phenylpent-2-enenitrile?
The IUPAC name of 2-(dimethylamino)-4-phenylpent-2-enenitrile (CID 131855342) is 2-(dimethylamino)-4-phenylpent-2-enenitrile.
What is the SMILES notation for 2-(dimethylamino)-4-phenylpent-2-enenitrile?
The canonical SMILES for 2-(dimethylamino)-4-phenylpent-2-enenitrile is CC(C=C(C#N)N(C)C)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-4-phenylpent-2-enenitrile?
The InChIKey is MJPDKBWEMUDGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11(9-13(10-14)15(2)3)12-7-5-4-6-8-12/h4-9,11H,1-3H3.
What are the key properties of 2-(dimethylamino)-4-phenylpent-2-enenitrile?
2-(dimethylamino)-4-phenylpent-2-enenitrile has a molecular weight of 200.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-phenylpent-2-enenitrile is sourced from PubChem (CID 131855342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).