3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one

C10H14N2O — CID 126982757

IUPAC3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one
SMILESCC(C)=CCn1ccnc(C)c1=O
InChIInChI=1S/C10H14N2O/c1-8(2)4-6-12-7-5-11-9(3)10(12)13/h4-5,7H,6H2,1-3H3
InChIKeyYLAQOUSXJQVTNU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.52
Rot. Bonds2

About 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one

3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one (PubChem CID 126982757) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one
PubChem CID126982757
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one
SMILESCC(C)=CCn1ccnc(C)c1=O
InChIInChI=1S/C10H14N2O/c1-8(2)4-6-12-7-5-11-9(3)10(12)13/h4-5,7H,6H2,1-3H3
InChIKeyYLAQOUSXJQVTNU-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.52
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

3,6-Dimethyl-1-prop-2-enylpyrazin-2-one
CID 20676280
2,4,5-trimethyl-5H-1,4-diazepin-3-one
CID 59881776
1-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-3-methylpyrazin-2-one
CID 144352190
1-Tert-butyl-3-methylpyrazin-2-one
CID 169075121
1-(3-Methylbut-2-enyl)pyrazin-2-one
CID 126979757
1-[2-(Chloromethyl)prop-2-enyl]-3-methylpyrazin-2-one
CID 130571103
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
3-methyl-1-[(E)-4-sulfanylbut-2-enyl]pyrazin-2-one
CID 130571224
1,3-Dimethylpyrido[1,2-a]pyrazin-4-one
CID 140746749

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one?
The IUPAC name of 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one (CID 126982757) is 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one.
What is the SMILES notation for 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one?
The canonical SMILES for 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one is CC(C)=CCn1ccnc(C)c1=O.
What is the InChIKey of 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one?
The InChIKey is YLAQOUSXJQVTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)4-6-12-7-5-11-9(3)10(12)13/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one?
3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbut-2-enyl)pyrazin-2-one is sourced from PubChem (CID 126982757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).