(E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile

C20H19NO — CID 11150431

IUPAC(E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile
SMILESCCC(C#N)(C/C=C/c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H19NO/c1-2-20(16-21,19(22)18-13-7-4-8-14-18)15-9-12-17-10-5-3-6-11-17/h3-14H,2,15H2,1H3/b12-9+
InChIKeyGWBBORWCBSKLNI-FMIVXFBMSA-N
MW289.38 g/mol
LogP4.89
Rot. Bonds6

About (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile

(E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile (PubChem CID 11150431) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile.

Molecular Properties

Compound Name(E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile
PubChem CID11150431
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile
SMILESCCC(C#N)(C/C=C/c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H19NO/c1-2-20(16-21,19(22)18-13-7-4-8-14-18)15-9-12-17-10-5-3-6-11-17/h3-14H,2,15H2,1H3/b12-9+
InChIKeyGWBBORWCBSKLNI-FMIVXFBMSA-N
XLogP4.89
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-3-phenylprop-2-enyl] 2-cyano-2-prop-2-enylpent-4-enoate
CID 102172798
3,3-dimethyl-2-methylidene-6-phenylhex-5-enoic acid
CID 174312615
ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate
CID 146162572
4-phenylbut-3-enoic acid;prop-2-enenitrile
CID 67360679
diethyl 2-methyl-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 10957226
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
CID 87277841
diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate
CID 134872871
diethyl 2-(3-phenylprop-2-enyl)-2-prop-2-ynylpropanedioate
CID 73086345
benzene;but-1-enylbenzene
CID 157481332
ethyl 2-cyano-5-phenylpent-4-enoate
CID 72737820
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile?
The IUPAC name of (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile (CID 11150431) is (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile.
What is the SMILES notation for (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile?
The canonical SMILES for (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile is CCC(C#N)(C/C=C/c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile?
The InChIKey is GWBBORWCBSKLNI-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-20(16-21,19(22)18-13-7-4-8-14-18)15-9-12-17-10-5-3-6-11-17/h3-14H,2,15H2,1H3/b12-9+.
What are the key properties of (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile?
(E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile has a molecular weight of 289.38 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzoyl-2-ethyl-5-phenylpent-4-enenitrile is sourced from PubChem (CID 11150431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).