(E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile

C7H5N3O — CID 136999732

IUPAC(E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile
SMILESN#C/C(=C/O)c1cnccn1
InChIInChI=1S/C7H5N3O/c8-3-6(5-11)7-4-9-1-2-10-7/h1-2,4-5,11H/b6-5-
InChIKeyLRBGYKNHXPZVTA-WAYWQWQTSA-N
MW147.14 g/mol
LogP0.90
Rot. Bonds1

About (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile

(E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile (PubChem CID 136999732) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile
PubChem CID136999732
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name(E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile
SMILESN#C/C(=C/O)c1cnccn1
InChIInChI=1S/C7H5N3O/c8-3-6(5-11)7-4-9-1-2-10-7/h1-2,4-5,11H/b6-5-
InChIKeyLRBGYKNHXPZVTA-WAYWQWQTSA-N
XLogP0.90
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[(E)-1-chloroprop-1-en-2-yl]pyrazine
CID 154700299
(3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide
CID 140612761
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
pyrazine-2-carbothioic S-acid
CID 87249006
2-(1-iodoethenyl)pyrazine
CID 122605916
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide
CID 159756851
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
1-pyrazin-2-ylbut-2-en-1-one
CID 175484780
(E)-1-pyrazin-2-ylbut-2-en-1-one
CID 103453450
4-[(1Z,3E)-5-amino-1-hydroxy-1-pyrazin-2-ylpenta-1,3-dien-2-yl]benzonitrile
CID 89279280
3-hydroxy-2-(2-oxo-1H-pyrimidin-6-yl)prop-2-enenitrile
CID 165351625

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile?
The IUPAC name of (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile (CID 136999732) is (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile is N#C/C(=C/O)c1cnccn1.
What is the InChIKey of (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile?
The InChIKey is LRBGYKNHXPZVTA-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H5N3O/c8-3-6(5-11)7-4-9-1-2-10-7/h1-2,4-5,11H/b6-5-.
What are the key properties of (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile?
(E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile has a molecular weight of 147.14 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-pyrazin-2-ylprop-2-enenitrile is sourced from PubChem (CID 136999732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).