(Z)-3-hydroxy-2-phenylprop-2-enenitrile

C9H7NO — CID 2759230

IUPAC(Z)-3-hydroxy-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\O)c1ccccc1
InChIInChI=1S/C9H7NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,11H/b9-7+
InChIKeyGQNBRISQKUALEP-VQHVLOKHSA-N
MW145.16 g/mol
LogP2.11
Rot. Bonds1

About (Z)-3-hydroxy-2-phenylprop-2-enenitrile

(Z)-3-hydroxy-2-phenylprop-2-enenitrile (PubChem CID 2759230) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-phenylprop-2-enenitrile
PubChem CID2759230
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name(Z)-3-hydroxy-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\O)c1ccccc1
InChIInChI=1S/C9H7NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,11H/b9-7+
InChIKeyGQNBRISQKUALEP-VQHVLOKHSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-hydroxy-2-phenylprop-2-enenitrile (CID 2759230) is (Z)-3-hydroxy-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-hydroxy-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-hydroxy-2-phenylprop-2-enenitrile is N#C/C(=C\O)c1ccccc1.
What is the InChIKey of (Z)-3-hydroxy-2-phenylprop-2-enenitrile?
The InChIKey is GQNBRISQKUALEP-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H7NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,11H/b9-7+.
What are the key properties of (Z)-3-hydroxy-2-phenylprop-2-enenitrile?
(Z)-3-hydroxy-2-phenylprop-2-enenitrile has a molecular weight of 145.16 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-phenylprop-2-enenitrile is sourced from PubChem (CID 2759230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).