ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one

C11H18N2O — CID 142953943

IUPACethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one
SMILESC=Cc1nc(C)c(=O)[nH]c1CC.CC
InChIInChI=1S/C9H12N2O.C2H6/c1-4-7-8(5-2)11-9(12)6(3)10-7;1-2/h4H,1,5H2,2-3H3,(H,11,12);1-2H3
InChIKeyJBBNGAYZSAVENL-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.31
Rot. Bonds2

About ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one

ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one (PubChem CID 142953943) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Nameethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one
PubChem CID142953943
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one
SMILESC=Cc1nc(C)c(=O)[nH]c1CC.CC
InChIInChI=1S/C9H12N2O.C2H6/c1-4-7-8(5-2)11-9(12)6(3)10-7;1-2/h4H,1,5H2,2-3H3,(H,11,12);1-2H3
InChIKeyJBBNGAYZSAVENL-UHFFFAOYSA-N
XLogP2.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one?
The IUPAC name of ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one (CID 142953943) is ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one.
What is the SMILES notation for ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one?
The canonical SMILES for ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one is C=Cc1nc(C)c(=O)[nH]c1CC.CC.
What is the InChIKey of ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one?
The InChIKey is JBBNGAYZSAVENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-4-7-8(5-2)11-9(12)6(3)10-7;1-2/h4H,1,5H2,2-3H3,(H,11,12);1-2H3.
What are the key properties of ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one?
ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 142953943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).