(E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile

C16H14N2 — CID 13147143

IUPAC(E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile
SMILESCN(/C(C#N)=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2/c1-18(15-10-6-3-7-11-15)16(13-17)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12+
InChIKeyUAXUOGFFRGSUAC-FOWTUZBSSA-N
MW234.30 g/mol
LogP3.69
Rot. Bonds3

About (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile

(E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile (PubChem CID 13147143) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile
PubChem CID13147143
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name(E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile
SMILESCN(/C(C#N)=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2/c1-18(15-10-6-3-7-11-15)16(13-17)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12+
InChIKeyUAXUOGFFRGSUAC-FOWTUZBSSA-N
XLogP3.69
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.69
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

(E)-2-(N-methylanilino)but-2-enenitrile
CID 14812335
N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
CID 132574218
N-[(E)-1-chloro-2-phenylethenyl]-N-methylaniline
CID 132574216
(2E,4Z)-6-hydroxy-2-(N-methylanilino)hepta-2,4-dienenitrile
CID 177425455
N-(1,2-diphenylethenyl)-N-methylaniline
CID 76766210
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
(2E,4E)-2-(N-methylanilino)-6-phenylsulfanylhepta-2,4-dienenitrile
CID 10041702
(E,2E)-2-benzylidene-3-hydroxyhex-4-enenitrile
CID 101045564
(E)-2-(dimethylamino)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 11816521
2-benzylidene-4-methylpent-3-enenitrile
CID 71357949
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
2-methylsulfonyl-3-phenylprop-2-enenitrile
CID 54020495

Frequently Asked Questions

What is the IUPAC name of (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile?
The IUPAC name of (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile (CID 13147143) is (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile.
What is the SMILES notation for (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile?
The canonical SMILES for (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile is CN(/C(C#N)=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile?
The InChIKey is UAXUOGFFRGSUAC-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H14N2/c1-18(15-10-6-3-7-11-15)16(13-17)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12+.
What are the key properties of (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile?
(E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile has a molecular weight of 234.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile is sourced from PubChem (CID 13147143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).