(5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one

C14H20N4O — CID 88962899

IUPAC(5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one
SMILESC=c1/c(=C\C(C)=C/N)ncc(=O)n1C1CCNCC1
InChIInChI=1S/C14H20N4O/c1-10(8-15)7-13-11(2)18(14(19)9-17-13)12-3-5-16-6-4-12/h7-9,12,16H,2-6,15H2,1H3/b10-8-,13-7+
InChIKeyIORCMTISSQTULA-SNJAUTMDSA-N
MW260.34 g/mol
LogP-0.78
Rot. Bonds2

About (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one

(5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one (PubChem CID 88962899) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one.

Molecular Properties

Compound Name(5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one
PubChem CID88962899
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one
SMILESC=c1/c(=C\C(C)=C/N)ncc(=O)n1C1CCNCC1
InChIInChI=1S/C14H20N4O/c1-10(8-15)7-13-11(2)18(14(19)9-17-13)12-3-5-16-6-4-12/h7-9,12,16H,2-6,15H2,1H3/b10-8-,13-7+
InChIKeyIORCMTISSQTULA-SNJAUTMDSA-N
XLogP-0.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one?
The IUPAC name of (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one (CID 88962899) is (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one.
What is the SMILES notation for (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one?
The canonical SMILES for (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one is C=c1/c(=C\C(C)=C/N)ncc(=O)n1C1CCNCC1.
What is the InChIKey of (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one?
The InChIKey is IORCMTISSQTULA-SNJAUTMDSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(8-15)7-13-11(2)18(14(19)9-17-13)12-3-5-16-6-4-12/h7-9,12,16H,2-6,15H2,1H3/b10-8-,13-7+.
What are the key properties of (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one?
(5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one has a molecular weight of 260.34 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-3-amino-2-methylprop-2-enylidene]-6-methylidene-1-piperidin-4-ylpyrazin-2-one is sourced from PubChem (CID 88962899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).