4-methoxy-4-morpholin-4-ylbut-3-en-2-one

C9H15NO3 — CID 91332054

IUPAC4-methoxy-4-morpholin-4-ylbut-3-en-2-one
SMILESCOC(=CC(C)=O)N1CCOCC1
InChIInChI=1S/C9H15NO3/c1-8(11)7-9(12-2)10-3-5-13-6-4-10/h7H,3-6H2,1-2H3
InChIKeyGMWUIUGPEUVKOW-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.40
Rot. Bonds3

About 4-methoxy-4-morpholin-4-ylbut-3-en-2-one

4-methoxy-4-morpholin-4-ylbut-3-en-2-one (PubChem CID 91332054) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-methoxy-4-morpholin-4-ylbut-3-en-2-one.

Molecular Properties

Compound Name4-methoxy-4-morpholin-4-ylbut-3-en-2-one
PubChem CID91332054
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-methoxy-4-morpholin-4-ylbut-3-en-2-one
SMILESCOC(=CC(C)=O)N1CCOCC1
InChIInChI=1S/C9H15NO3/c1-8(11)7-9(12-2)10-3-5-13-6-4-10/h7H,3-6H2,1-2H3
InChIKeyGMWUIUGPEUVKOW-UHFFFAOYSA-N
XLogP0.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-morpholin-4-ylbut-3-en-2-one?
The IUPAC name of 4-methoxy-4-morpholin-4-ylbut-3-en-2-one (CID 91332054) is 4-methoxy-4-morpholin-4-ylbut-3-en-2-one.
What is the SMILES notation for 4-methoxy-4-morpholin-4-ylbut-3-en-2-one?
The canonical SMILES for 4-methoxy-4-morpholin-4-ylbut-3-en-2-one is COC(=CC(C)=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-4-morpholin-4-ylbut-3-en-2-one?
The InChIKey is GMWUIUGPEUVKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(11)7-9(12-2)10-3-5-13-6-4-10/h7H,3-6H2,1-2H3.
What are the key properties of 4-methoxy-4-morpholin-4-ylbut-3-en-2-one?
4-methoxy-4-morpholin-4-ylbut-3-en-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-morpholin-4-ylbut-3-en-2-one is sourced from PubChem (CID 91332054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).