(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one

C12H21NO2 — CID 102594206

IUPAC(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one
SMILESC/C(=C\C(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-10(9-12(2,3)4)11(14)13-5-7-15-8-6-13/h9H,5-8H2,1-4H3/b10-9+
InChIKeyAFXCMZAWQCQVJT-MDZDMXLPSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds1

About (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one

(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one (PubChem CID 102594206) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one
PubChem CID102594206
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one
SMILESC/C(=C\C(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-10(9-12(2,3)4)11(14)13-5-7-15-8-6-13/h9H,5-8H2,1-4H3/b10-9+
InChIKeyAFXCMZAWQCQVJT-MDZDMXLPSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one?
The IUPAC name of (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one (CID 102594206) is (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one.
What is the SMILES notation for (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one?
The canonical SMILES for (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one is C/C(=C\C(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one?
The InChIKey is AFXCMZAWQCQVJT-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(9-12(2,3)4)11(14)13-5-7-15-8-6-13/h9H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one?
(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one is sourced from PubChem (CID 102594206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).