(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine

C9H13NO — CID 130336935

IUPAC(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
SMILESC=C1OCCN/C1=C/C=C\C
InChIInChI=1S/C9H13NO/c1-3-4-5-9-8(2)11-7-6-10-9/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5+
InChIKeyOPNDGLMYZJPGMB-XBURUKCPSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds1

About (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine

(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine (PubChem CID 130336935) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine.

Molecular Properties

Compound Name(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
PubChem CID130336935
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
SMILESC=C1OCCN/C1=C/C=C\C
InChIInChI=1S/C9H13NO/c1-3-4-5-9-8(2)11-7-6-10-9/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5+
InChIKeyOPNDGLMYZJPGMB-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 (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine?
The IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine (CID 130336935) is (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine.
What is the SMILES notation for (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine?
The canonical SMILES for (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine is C=C1OCCN/C1=C/C=C\C.
What is the InChIKey of (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine?
The InChIKey is OPNDGLMYZJPGMB-XBURUKCPSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-5-9-8(2)11-7-6-10-9/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5+.
What are the key properties of (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine?
(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine 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 (3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine is sourced from PubChem (CID 130336935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).