(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane

C9H13NO — CID 138646483

IUPAC(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane
SMILESC=C1CNCO/C1=C/C=C\C
InChIInChI=1S/C9H13NO/c1-3-4-5-9-8(2)6-10-7-11-9/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5+
InChIKeyFBQYINRRMGIYOL-XBURUKCPSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds1

About (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane

(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane (PubChem CID 138646483) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane.

Molecular Properties

Compound Name(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane
PubChem CID138646483
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane
SMILESC=C1CNCO/C1=C/C=C\C
InChIInChI=1S/C9H13NO/c1-3-4-5-9-8(2)6-10-7-11-9/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5+
InChIKeyFBQYINRRMGIYOL-XBURUKCPSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane?
The IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane (CID 138646483) is (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane.
What is the SMILES notation for (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane?
The canonical SMILES for (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane is C=C1CNCO/C1=C/C=C\C.
What is the InChIKey of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane?
The InChIKey is FBQYINRRMGIYOL-XBURUKCPSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-5-9-8(2)6-10-7-11-9/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5+.
What are the key properties of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane?
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane has a molecular weight of 151.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane is sourced from PubChem (CID 138646483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).