5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one

C9H12N2O — CID 70353542

IUPAC5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one
SMILESC=CCc1nc(C)c(C)[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-4-5-8-9(12)11-7(3)6(2)10-8/h4H,1,5H2,2-3H3,(H,11,12)
InChIKeyFXEWOZIVNFJXHL-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.12
Rot. Bonds2

About 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one

5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one (PubChem CID 70353542) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one
PubChem CID70353542
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one
SMILESC=CCc1nc(C)c(C)[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-4-5-8-9(12)11-7(3)6(2)10-8/h4H,1,5H2,2-3H3,(H,11,12)
InChIKeyFXEWOZIVNFJXHL-UHFFFAOYSA-N
XLogP1.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.12
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 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one?
The IUPAC name of 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one (CID 70353542) is 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one?
The canonical SMILES for 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one is C=CCc1nc(C)c(C)[nH]c1=O.
What is the InChIKey of 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one?
The InChIKey is FXEWOZIVNFJXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-5-8-9(12)11-7(3)6(2)10-8/h4H,1,5H2,2-3H3,(H,11,12).
What are the key properties of 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one?
5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one is sourced from PubChem (CID 70353542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).