5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one

C10H14N2O2 — CID 143691640

IUPAC5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one
SMILESC=C1OCC(=O)N/C1=N\C(=C)C(C)C
InChIInChI=1S/C10H14N2O2/c1-6(2)7(3)11-10-8(4)14-5-9(13)12-10/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXDLVPRBVGLJPRX-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.21
Rot. Bonds2

About 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one

5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one (PubChem CID 143691640) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one.

Molecular Properties

Compound Name5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one
PubChem CID143691640
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one
SMILESC=C1OCC(=O)N/C1=N\C(=C)C(C)C
InChIInChI=1S/C10H14N2O2/c1-6(2)7(3)11-10-8(4)14-5-9(13)12-10/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXDLVPRBVGLJPRX-UHFFFAOYSA-N
XLogP1.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one?
The IUPAC name of 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one (CID 143691640) is 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one.
What is the SMILES notation for 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one?
The canonical SMILES for 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one is C=C1OCC(=O)N/C1=N\C(=C)C(C)C.
What is the InChIKey of 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one?
The InChIKey is XDLVPRBVGLJPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)7(3)11-10-8(4)14-5-9(13)12-10/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one?
5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one has a molecular weight of 194.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-1-en-2-ylimino)-6-methylidenemorpholin-3-one is sourced from PubChem (CID 143691640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).