3,6-dimethyl-1-prop-2-enylpyrazin-2-one

C9H12N2O — CID 20676280

IUPAC3,6-dimethyl-1-prop-2-enylpyrazin-2-one
SMILESC=CCn1c(C)cnc(C)c1=O
InChIInChI=1S/C9H12N2O/c1-4-5-11-7(2)6-10-8(3)9(11)12/h4,6H,1,5H2,2-3H3
InChIKeyYBFXIRPJPWGMDS-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.05
Rot. Bonds2

About 3,6-dimethyl-1-prop-2-enylpyrazin-2-one

3,6-dimethyl-1-prop-2-enylpyrazin-2-one (PubChem CID 20676280) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3,6-dimethyl-1-prop-2-enylpyrazin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-1-prop-2-enylpyrazin-2-one
PubChem CID20676280
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3,6-dimethyl-1-prop-2-enylpyrazin-2-one
SMILESC=CCn1c(C)cnc(C)c1=O
InChIInChI=1S/C9H12N2O/c1-4-5-11-7(2)6-10-8(3)9(11)12/h4,6H,1,5H2,2-3H3
InChIKeyYBFXIRPJPWGMDS-UHFFFAOYSA-N
XLogP1.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Fluoropropyl)-3-methylpyrazin-2-one
CID 130571179
1,3,5-Trimethylpyrazin-2-one
CID 20646799
2,4,5-trimethyl-5H-1,4-diazepin-3-one
CID 59881776
1-Ethyl-3-methylpyrazin-2-one
CID 90291055
1,3-Dimethylpyrazin-2-one;ethane
CID 141897568
Ethane;1-ethyl-3,6-dimethylpyrazin-2-one;hydrate
CID 141898045
1-Tert-butyl-3-methylpyrazin-2-one
CID 169075121
3-Methyl-1-(3-methylbut-2-enyl)pyrazin-2-one
CID 126982757
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrazin-2-one
CID 130571180
3-Methyl-1-(2-methylpropyl)pyrazin-2-one
CID 130571191
3-Methyl-1-propylpyrazin-2-one
CID 130571193
3-Methyl-1-(2-methylprop-2-enyl)pyrazin-2-one
CID 130571200

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-prop-2-enylpyrazin-2-one?
The IUPAC name of 3,6-dimethyl-1-prop-2-enylpyrazin-2-one (CID 20676280) is 3,6-dimethyl-1-prop-2-enylpyrazin-2-one.
What is the SMILES notation for 3,6-dimethyl-1-prop-2-enylpyrazin-2-one?
The canonical SMILES for 3,6-dimethyl-1-prop-2-enylpyrazin-2-one is C=CCn1c(C)cnc(C)c1=O.
What is the InChIKey of 3,6-dimethyl-1-prop-2-enylpyrazin-2-one?
The InChIKey is YBFXIRPJPWGMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-5-11-7(2)6-10-8(3)9(11)12/h4,6H,1,5H2,2-3H3.
What are the key properties of 3,6-dimethyl-1-prop-2-enylpyrazin-2-one?
3,6-dimethyl-1-prop-2-enylpyrazin-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-prop-2-enylpyrazin-2-one is sourced from PubChem (CID 20676280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).