3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one

C6H6N2O2 — CID 136880927

IUPAC3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1/C=C/O
InChIInChI=1S/C6H6N2O2/c9-4-1-5-6(10)8-3-2-7-5/h1-4,9H,(H,8,10)/b4-1+
InChIKeyIEDNZXCNJGVNHR-DAFODLJHSA-N
MW138.13 g/mol
LogP0.30
Rot. Bonds1

About 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one

3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one (PubChem CID 136880927) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one
PubChem CID136880927
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1/C=C/O
InChIInChI=1S/C6H6N2O2/c9-4-1-5-6(10)8-3-2-7-5/h1-4,9H,(H,8,10)/b4-1+
InChIKeyIEDNZXCNJGVNHR-DAFODLJHSA-N
XLogP0.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one (CID 136880927) is 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1/C=C/O.
What is the InChIKey of 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one?
The InChIKey is IEDNZXCNJGVNHR-DAFODLJHSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-4-1-5-6(10)8-3-2-7-5/h1-4,9H,(H,8,10)/b4-1+.
What are the key properties of 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one?
3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one has a molecular weight of 138.13 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 136880927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).