(Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile

C8H7N3O — CID 129203662

IUPAC(Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile
SMILESCO/C(=C\C#N)c1cnccn1
InChIInChI=1S/C8H7N3O/c1-12-8(2-3-9)7-6-10-4-5-11-7/h2,4-6H,1H3/b8-2-
InChIKeyHMYHCUBLZUJEQI-WAPJZHGLSA-N
MW161.16 g/mol
LogP0.99
Rot. Bonds2

About (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile

(Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile (PubChem CID 129203662) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile
PubChem CID129203662
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name(Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile
SMILESCO/C(=C\C#N)c1cnccn1
InChIInChI=1S/C8H7N3O/c1-12-8(2-3-9)7-6-10-4-5-11-7/h2,4-6H,1H3/b8-2-
InChIKeyHMYHCUBLZUJEQI-WAPJZHGLSA-N
XLogP0.99
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile (CID 129203662) is (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile is CO/C(=C\C#N)c1cnccn1.
What is the InChIKey of (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile?
The InChIKey is HMYHCUBLZUJEQI-WAPJZHGLSA-N. The full InChI is InChI=1S/C8H7N3O/c1-12-8(2-3-9)7-6-10-4-5-11-7/h2,4-6H,1H3/b8-2-.
What are the key properties of (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile?
(Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile has a molecular weight of 161.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile is sourced from PubChem (CID 129203662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).