(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one

C11H12N2O — CID 143602463

IUPAC(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one
SMILESC=C/C=c1/[nH]c(=O)cn/c1=C/C=C\C
InChIInChI=1S/C11H12N2O/c1-3-5-7-9-10(6-4-2)13-11(14)8-12-9/h3-8H,2H2,1H3,(H,13,14)/b5-3-,9-7+,10-6+
InChIKeyDKYKAMAGLYNDBN-PBICUVHJSA-N
MW188.23 g/mol
LogP0.09
Rot. Bonds2

About (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one

(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one (PubChem CID 143602463) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one.

Molecular Properties

Compound Name(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one
PubChem CID143602463
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one
SMILESC=C/C=c1/[nH]c(=O)cn/c1=C/C=C\C
InChIInChI=1S/C11H12N2O/c1-3-5-7-9-10(6-4-2)13-11(14)8-12-9/h3-8H,2H2,1H3,(H,13,14)/b5-3-,9-7+,10-6+
InChIKeyDKYKAMAGLYNDBN-PBICUVHJSA-N
XLogP0.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-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 (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one?
The IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one (CID 143602463) is (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one.
What is the SMILES notation for (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one?
The canonical SMILES for (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one is C=C/C=c1/[nH]c(=O)cn/c1=C/C=C\C.
What is the InChIKey of (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one?
The InChIKey is DKYKAMAGLYNDBN-PBICUVHJSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-5-7-9-10(6-4-2)13-11(14)8-12-9/h3-8H,2H2,1H3,(H,13,14)/b5-3-,9-7+,10-6+.
What are the key properties of (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one?
(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one has a molecular weight of 188.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidenepyrazin-2-one is sourced from PubChem (CID 143602463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).