(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one

C11H15NO2 — CID 144852986

IUPAC(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one
SMILESC/C=C\C=C1\OC(=O)N(C)C\C1=C\C
InChIInChI=1S/C11H15NO2/c1-4-6-7-10-9(5-2)8-12(3)11(13)14-10/h4-7H,8H2,1-3H3/b6-4-,9-5-,10-7+
InChIKeyKAILBZGJCODKSL-RVXOYRHDSA-N
MW193.25 g/mol
LogP2.47
Rot. Bonds1

About (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one

(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one (PubChem CID 144852986) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one
PubChem CID144852986
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one
SMILESC/C=C\C=C1\OC(=O)N(C)C\C1=C\C
InChIInChI=1S/C11H15NO2/c1-4-6-7-10-9(5-2)8-12(3)11(13)14-10/h4-7H,8H2,1-3H3/b6-4-,9-5-,10-7+
InChIKeyKAILBZGJCODKSL-RVXOYRHDSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one?
The IUPAC name of (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one (CID 144852986) is (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one?
The canonical SMILES for (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one is C/C=C\C=C1\OC(=O)N(C)C\C1=C\C.
What is the InChIKey of (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one?
The InChIKey is KAILBZGJCODKSL-RVXOYRHDSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-6-7-10-9(5-2)8-12(3)11(13)14-10/h4-7H,8H2,1-3H3/b6-4-,9-5-,10-7+.
What are the key properties of (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one?
(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-3-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 144852986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).