2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile

C16H18N2 — CID 10933563

IUPAC2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile
SMILESC/C(=C\CCc1ccccc1)CC(C)(C#N)C#N
InChIInChI=1S/C16H18N2/c1-14(11-16(2,12-17)13-18)7-6-10-15-8-4-3-5-9-15/h3-5,7-9H,6,10-11H2,1-2H3/b14-7+
InChIKeyKLNQNEQXDCGIQO-VGOFMYFVSA-N
MW238.33 g/mol
LogP4.01
Rot. Bonds5

About 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile

2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile (PubChem CID 10933563) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile
PubChem CID10933563
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile
SMILESC/C(=C\CCc1ccccc1)CC(C)(C#N)C#N
InChIInChI=1S/C16H18N2/c1-14(11-16(2,12-17)13-18)7-6-10-15-8-4-3-5-9-15/h3-5,7-9H,6,10-11H2,1-2H3/b14-7+
InChIKeyKLNQNEQXDCGIQO-VGOFMYFVSA-N
XLogP4.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.01
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

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CID 175487597
4-methyl-7-phenylhept-4-en-1-ol
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4-chloropent-3-enylbenzene
CID 71383765
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
CID 59479992
[(E)-1-chloro-4-phenylbut-1-enyl]benzene
CID 22020271
[(Z)-4-bromohex-3-en-5-ynyl]benzene
CID 101059609
(E,2R,3S)-7-methyl-10-phenyl-2-(1-prop-1-en-2-ylcyclopropyl)dec-7-en-4-yne-2,3-diol
CID 44607282
CID 138984319
CID 138984319
2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile
CID 14925254
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile?
The IUPAC name of 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile (CID 10933563) is 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile.
What is the SMILES notation for 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile?
The canonical SMILES for 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile is C/C(=C\CCc1ccccc1)CC(C)(C#N)C#N.
What is the InChIKey of 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile?
The InChIKey is KLNQNEQXDCGIQO-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H18N2/c1-14(11-16(2,12-17)13-18)7-6-10-15-8-4-3-5-9-15/h3-5,7-9H,6,10-11H2,1-2H3/b14-7+.
What are the key properties of 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile?
2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile has a molecular weight of 238.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile is sourced from PubChem (CID 10933563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).