(E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile

C13H13NO — CID 10679497

IUPAC(E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile
SMILESC=CC(C#N)C(O)/C=C/c1ccccc1
InChIInChI=1S/C13H13NO/c1-2-12(10-14)13(15)9-8-11-6-4-3-5-7-11/h2-9,12-13,15H,1H2/b9-8+
InChIKeyZCJPXSNBPTYBSC-CMDGGOBGSA-N
MW199.25 g/mol
LogP2.39
Rot. Bonds4

About (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile

(E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile (PubChem CID 10679497) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile.

Molecular Properties

Compound Name(E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile
PubChem CID10679497
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile
SMILESC=CC(C#N)C(O)/C=C/c1ccccc1
InChIInChI=1S/C13H13NO/c1-2-12(10-14)13(15)9-8-11-6-4-3-5-7-11/h2-9,12-13,15H,1H2/b9-8+
InChIKeyZCJPXSNBPTYBSC-CMDGGOBGSA-N
XLogP2.39
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile?
The IUPAC name of (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile (CID 10679497) is (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile.
What is the SMILES notation for (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile?
The canonical SMILES for (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile is C=CC(C#N)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile?
The InChIKey is ZCJPXSNBPTYBSC-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-12(10-14)13(15)9-8-11-6-4-3-5-7-11/h2-9,12-13,15H,1H2/b9-8+.
What are the key properties of (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile?
(E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile has a molecular weight of 199.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-3-hydroxy-5-phenylpent-4-enenitrile is sourced from PubChem (CID 10679497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).