2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile

C14H14N2 — CID 14925254

IUPAC2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile
SMILESCC(C#N)(C#N)C/C=C/Cc1ccccc1
InChIInChI=1S/C14H14N2/c1-14(11-15,12-16)10-6-5-9-13-7-3-2-4-8-13/h2-8H,9-10H2,1H3/b6-5+
InChIKeyRFYFLUYDAGGMHW-AATRIKPKSA-N
MW210.28 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile

2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile (PubChem CID 14925254) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile.

Molecular Properties

Compound Name2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile
PubChem CID14925254
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile
SMILESCC(C#N)(C#N)C/C=C/Cc1ccccc1
InChIInChI=1S/C14H14N2/c1-14(11-15,12-16)10-6-5-9-13-7-3-2-4-8-13/h2-8H,9-10H2,1H3/b6-5+
InChIKeyRFYFLUYDAGGMHW-AATRIKPKSA-N
XLogP3.23
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-phenylpent-3-enenitrile
CID 102025898
(E)-6-phenylhex-4-enenitrile
CID 14381063
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
but-2-enylbenzene;prop-1-ene
CID 159250462
4-phenylbut-2-ene-1-thiol
CID 54126363
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile
CID 10933563
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
2-benzylsulfanyl-2-phenylpropanenitrile
CID 134975922
[(E)-oct-2-enyl]benzene
CID 13383320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile?
The IUPAC name of 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile (CID 14925254) is 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile.
What is the SMILES notation for 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile?
The canonical SMILES for 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile is CC(C#N)(C#N)C/C=C/Cc1ccccc1.
What is the InChIKey of 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile?
The InChIKey is RFYFLUYDAGGMHW-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14N2/c1-14(11-15,12-16)10-6-5-9-13-7-3-2-4-8-13/h2-8H,9-10H2,1H3/b6-5+.
What are the key properties of 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile?
2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile has a molecular weight of 210.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile is sourced from PubChem (CID 14925254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).