(5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one

C11H12N2O — CID 126704692

IUPAC(5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one
SMILESC=C/C=c1/ncc(=O)n(C)/c1=C/C=C
InChIInChI=1S/C11H12N2O/c1-4-6-9-10(7-5-2)13(3)11(14)8-12-9/h4-8H,1-2H2,3H3/b9-6+,10-7+
InChIKeyADJVSAUBEBAZNV-KZZDLZNXSA-N
MW188.23 g/mol
LogP-0.29
Rot. Bonds2

About (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one

(5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one (PubChem CID 126704692) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one.

Molecular Properties

Compound Name(5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one
PubChem CID126704692
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one
SMILESC=C/C=c1/ncc(=O)n(C)/c1=C/C=C
InChIInChI=1S/C11H12N2O/c1-4-6-9-10(7-5-2)13(3)11(14)8-12-9/h4-8H,1-2H2,3H3/b9-6+,10-7+
InChIKeyADJVSAUBEBAZNV-KZZDLZNXSA-N
XLogP-0.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one?
The IUPAC name of (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one (CID 126704692) is (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one.
What is the SMILES notation for (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one?
The canonical SMILES for (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one is C=C/C=c1/ncc(=O)n(C)/c1=C/C=C.
What is the InChIKey of (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one?
The InChIKey is ADJVSAUBEBAZNV-KZZDLZNXSA-N. The full InChI is InChI=1S/C11H12N2O/c1-4-6-9-10(7-5-2)13(3)11(14)8-12-9/h4-8H,1-2H2,3H3/b9-6+,10-7+.
What are the key properties of (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one?
(5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one has a molecular weight of 188.23 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-1-methyl-5,6-bis(prop-2-enylidene)pyrazin-2-one is sourced from PubChem (CID 126704692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).