(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one

C10H11NO2 — CID 170192115

IUPAC(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one
SMILESC=c1c(=O)oc(C)n/c1=C/C=C\C
InChIInChI=1S/C10H11NO2/c1-4-5-6-9-7(2)10(12)13-8(3)11-9/h4-6H,2H2,1,3H3/b5-4-,9-6+
InChIKeyNOXWCGCOUNZMAB-KMOPYBJPSA-N
MW177.20 g/mol
LogP0.11
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one

(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one (PubChem CID 170192115) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one
PubChem CID170192115
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one
SMILESC=c1c(=O)oc(C)n/c1=C/C=C\C
InChIInChI=1S/C10H11NO2/c1-4-5-6-9-7(2)10(12)13-8(3)11-9/h4-6H,2H2,1,3H3/b5-4-,9-6+
InChIKeyNOXWCGCOUNZMAB-KMOPYBJPSA-N
XLogP0.11
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one (CID 170192115) is (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one is C=c1c(=O)oc(C)n/c1=C/C=C\C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one?
The InChIKey is NOXWCGCOUNZMAB-KMOPYBJPSA-N. The full InChI is InChI=1S/C10H11NO2/c1-4-5-6-9-7(2)10(12)13-8(3)11-9/h4-6H,2H2,1,3H3/b5-4-,9-6+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one?
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one has a molecular weight of 177.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-oxazin-6-one is sourced from PubChem (CID 170192115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).