5-methyl-1-morpholin-4-ylhexane-1,2,4-trione

C11H17NO4 — CID 71076980

IUPAC5-methyl-1-morpholin-4-ylhexane-1,2,4-trione
SMILESCC(C)C(=O)CC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H17NO4/c1-8(2)9(13)7-10(14)11(15)12-3-5-16-6-4-12/h8H,3-7H2,1-2H3
InChIKeyUOHAMJSWNWPQTQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.03
Rot. Bonds4

About 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione

5-methyl-1-morpholin-4-ylhexane-1,2,4-trione (PubChem CID 71076980) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione.

Molecular Properties

Compound Name5-methyl-1-morpholin-4-ylhexane-1,2,4-trione
PubChem CID71076980
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name5-methyl-1-morpholin-4-ylhexane-1,2,4-trione
SMILESCC(C)C(=O)CC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H17NO4/c1-8(2)9(13)7-10(14)11(15)12-3-5-16-6-4-12/h8H,3-7H2,1-2H3
InChIKeyUOHAMJSWNWPQTQ-UHFFFAOYSA-N
XLogP0.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione?
The IUPAC name of 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione (CID 71076980) is 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione.
What is the SMILES notation for 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione?
The canonical SMILES for 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione is CC(C)C(=O)CC(=O)C(=O)N1CCOCC1.
What is the InChIKey of 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione?
The InChIKey is UOHAMJSWNWPQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8(2)9(13)7-10(14)11(15)12-3-5-16-6-4-12/h8H,3-7H2,1-2H3.
What are the key properties of 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione?
5-methyl-1-morpholin-4-ylhexane-1,2,4-trione has a molecular weight of 227.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-morpholin-4-ylhexane-1,2,4-trione is sourced from PubChem (CID 71076980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).