(E)-5-(4-hydroxyphenyl)pent-4-enenitrile

C11H11NO — CID 131246029

IUPAC(E)-5-(4-hydroxyphenyl)pent-4-enenitrile
SMILESN#CCC/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H11NO/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h2,4-8,13H,1,3H2/b4-2+
InChIKeyDWJIPELPNYHJDB-DUXPYHPUSA-N
MW173.21 g/mol
LogP2.71
Rot. Bonds3

About (E)-5-(4-hydroxyphenyl)pent-4-enenitrile

(E)-5-(4-hydroxyphenyl)pent-4-enenitrile (PubChem CID 131246029) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (E)-5-(4-hydroxyphenyl)pent-4-enenitrile.

Molecular Properties

Compound Name(E)-5-(4-hydroxyphenyl)pent-4-enenitrile
PubChem CID131246029
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(E)-5-(4-hydroxyphenyl)pent-4-enenitrile
SMILESN#CCC/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H11NO/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h2,4-8,13H,1,3H2/b4-2+
InChIKeyDWJIPELPNYHJDB-DUXPYHPUSA-N
XLogP2.71
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylphenyl)pent-4-enenitrile
CID 174636399
4-(4-cyanobut-1-enyl)benzenesulfonic acid
CID 173263320
4-[(E)-pent-1-enyl]phenol
CID 15576502
5-(4-hydroxyphenyl)pent-4-enoic acid
CID 67881983
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
4-[(E)-5-cyanopent-1-enyl]benzonitrile
CID 162402483
4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
CID 57222494
4-[(1E,5E)-undeca-1,5-dienyl]phenol
CID 141405483
4-(3-hydroperoxyprop-1-enyl)phenol
CID 54378687
(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
3-[[(E)-4-(4-chlorophenyl)but-3-enyl]amino]propanenitrile
CID 70608973
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-hydroxyphenyl)pent-4-enenitrile?
The IUPAC name of (E)-5-(4-hydroxyphenyl)pent-4-enenitrile (CID 131246029) is (E)-5-(4-hydroxyphenyl)pent-4-enenitrile.
What is the SMILES notation for (E)-5-(4-hydroxyphenyl)pent-4-enenitrile?
The canonical SMILES for (E)-5-(4-hydroxyphenyl)pent-4-enenitrile is N#CCC/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-5-(4-hydroxyphenyl)pent-4-enenitrile?
The InChIKey is DWJIPELPNYHJDB-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H11NO/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h2,4-8,13H,1,3H2/b4-2+.
What are the key properties of (E)-5-(4-hydroxyphenyl)pent-4-enenitrile?
(E)-5-(4-hydroxyphenyl)pent-4-enenitrile has a molecular weight of 173.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-hydroxyphenyl)pent-4-enenitrile is sourced from PubChem (CID 131246029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).