4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one

C11H20N2O2 — CID 123810145

IUPAC4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C(C)CC(NC)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-9(2)8-10(12-3)11(14)13-4-6-15-7-5-13/h10,12H,1,4-8H2,2-3H3
InChIKeyNOPSXNWVROTEBG-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds4

About 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one

4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 123810145) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one
PubChem CID123810145
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C(C)CC(NC)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-9(2)8-10(12-3)11(14)13-4-6-15-7-5-13/h10,12H,1,4-8H2,2-3H3
InChIKeyNOPSXNWVROTEBG-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one (CID 123810145) is 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one is C=C(C)CC(NC)C(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is NOPSXNWVROTEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)8-10(12-3)11(14)13-4-6-15-7-5-13/h10,12H,1,4-8H2,2-3H3.
What are the key properties of 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one?
4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 123810145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).