3-prop-2-enyl-1H-pyrazin-2-one

C7H8N2O — CID 67435654

IUPAC3-prop-2-enyl-1H-pyrazin-2-one
SMILESC=CCc1ncc[nH]c1=O
InChIInChI=1S/C7H8N2O/c1-2-3-6-7(10)9-5-4-8-6/h2,4-5H,1,3H2,(H,9,10)
InChIKeyBTTGLALCGYKVFD-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.50
Rot. Bonds2

About 3-prop-2-enyl-1H-pyrazin-2-one

3-prop-2-enyl-1H-pyrazin-2-one (PubChem CID 67435654) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-prop-2-enyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-prop-2-enyl-1H-pyrazin-2-one
PubChem CID67435654
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-prop-2-enyl-1H-pyrazin-2-one
SMILESC=CCc1ncc[nH]c1=O
InChIInChI=1S/C7H8N2O/c1-2-3-6-7(10)9-5-4-8-6/h2,4-5H,1,3H2,(H,9,10)
InChIKeyBTTGLALCGYKVFD-UHFFFAOYSA-N
XLogP0.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1H-pyrazin-2-one?
The IUPAC name of 3-prop-2-enyl-1H-pyrazin-2-one (CID 67435654) is 3-prop-2-enyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-prop-2-enyl-1H-pyrazin-2-one?
The canonical SMILES for 3-prop-2-enyl-1H-pyrazin-2-one is C=CCc1ncc[nH]c1=O.
What is the InChIKey of 3-prop-2-enyl-1H-pyrazin-2-one?
The InChIKey is BTTGLALCGYKVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-3-6-7(10)9-5-4-8-6/h2,4-5H,1,3H2,(H,9,10).
What are the key properties of 3-prop-2-enyl-1H-pyrazin-2-one?
3-prop-2-enyl-1H-pyrazin-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1H-pyrazin-2-one is sourced from PubChem (CID 67435654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).