5-methyl-1-morpholin-4-ylhexane-1,4-dione

C11H19NO3 — CID 20600595

IUPAC5-methyl-1-morpholin-4-ylhexane-1,4-dione
SMILESCC(C)C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-9(2)10(13)3-4-11(14)12-5-7-15-8-6-12/h9H,3-8H2,1-2H3
InChIKeyGZLGBTKGGMXXKT-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.85
Rot. Bonds4

About 5-methyl-1-morpholin-4-ylhexane-1,4-dione

5-methyl-1-morpholin-4-ylhexane-1,4-dione (PubChem CID 20600595) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-methyl-1-morpholin-4-ylhexane-1,4-dione.

Molecular Properties

Compound Name5-methyl-1-morpholin-4-ylhexane-1,4-dione
PubChem CID20600595
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-methyl-1-morpholin-4-ylhexane-1,4-dione
SMILESCC(C)C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-9(2)10(13)3-4-11(14)12-5-7-15-8-6-12/h9H,3-8H2,1-2H3
InChIKeyGZLGBTKGGMXXKT-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-morpholin-4-ylhexane-1,4-dione?
The IUPAC name of 5-methyl-1-morpholin-4-ylhexane-1,4-dione (CID 20600595) is 5-methyl-1-morpholin-4-ylhexane-1,4-dione.
What is the SMILES notation for 5-methyl-1-morpholin-4-ylhexane-1,4-dione?
The canonical SMILES for 5-methyl-1-morpholin-4-ylhexane-1,4-dione is CC(C)C(=O)CCC(=O)N1CCOCC1.
What is the InChIKey of 5-methyl-1-morpholin-4-ylhexane-1,4-dione?
The InChIKey is GZLGBTKGGMXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2)10(13)3-4-11(14)12-5-7-15-8-6-12/h9H,3-8H2,1-2H3.
What are the key properties of 5-methyl-1-morpholin-4-ylhexane-1,4-dione?
5-methyl-1-morpholin-4-ylhexane-1,4-dione has a molecular weight of 213.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-morpholin-4-ylhexane-1,4-dione is sourced from PubChem (CID 20600595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).