(E)-3-(3-hydroxyphenyl)prop-2-enenitrile

C9H7NO — CID 14955604

IUPAC(E)-3-(3-hydroxyphenyl)prop-2-enenitrile
SMILESN#C/C=C/c1cccc(O)c1
InChIInChI=1S/C9H7NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1-5,7,11H/b4-2+
InChIKeyCZUDNLGWUDZMIN-DUXPYHPUSA-N
MW145.16 g/mol
LogP1.93
Rot. Bonds1

About (E)-3-(3-hydroxyphenyl)prop-2-enenitrile

(E)-3-(3-hydroxyphenyl)prop-2-enenitrile (PubChem CID 14955604) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is (E)-3-(3-hydroxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(3-hydroxyphenyl)prop-2-enenitrile
PubChem CID14955604
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name(E)-3-(3-hydroxyphenyl)prop-2-enenitrile
SMILESN#C/C=C/c1cccc(O)c1
InChIInChI=1S/C9H7NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1-5,7,11H/b4-2+
InChIKeyCZUDNLGWUDZMIN-DUXPYHPUSA-N
XLogP1.93
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxyphenyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(3-hydroxyphenyl)prop-2-enenitrile (CID 14955604) is (E)-3-(3-hydroxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(3-hydroxyphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(3-hydroxyphenyl)prop-2-enenitrile is N#C/C=C/c1cccc(O)c1.
What is the InChIKey of (E)-3-(3-hydroxyphenyl)prop-2-enenitrile?
The InChIKey is CZUDNLGWUDZMIN-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H7NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1-5,7,11H/b4-2+.
What are the key properties of (E)-3-(3-hydroxyphenyl)prop-2-enenitrile?
(E)-3-(3-hydroxyphenyl)prop-2-enenitrile has a molecular weight of 145.16 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 14955604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).