6-methylmorpholine-2,5-dione

C5H7NO3 — CID 19373531

IUPAC6-methylmorpholine-2,5-dione
SMILESCC1OC(=O)CNC1=O
InChIInChI=1S/C5H7NO3/c1-3-5(8)6-2-4(7)9-3/h3H,2H2,1H3,(H,6,8)
InChIKeyOBVBGIKXUJJGEC-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.95
Rot. Bonds

About 6-methylmorpholine-2,5-dione

6-methylmorpholine-2,5-dione (PubChem CID 19373531) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 6-methylmorpholine-2,5-dione.

Molecular Properties

Compound Name6-methylmorpholine-2,5-dione
PubChem CID19373531
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name6-methylmorpholine-2,5-dione
SMILESCC1OC(=O)CNC1=O
InChIInChI=1S/C5H7NO3/c1-3-5(8)6-2-4(7)9-3/h3H,2H2,1H3,(H,6,8)
InChIKeyOBVBGIKXUJJGEC-UHFFFAOYSA-N
XLogP-0.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dimethylmorpholine-2,3-dione
CID 3469206
(6R)-6-methylmorpholin-3-one
CID 54310878
(6S)-6-methylmorpholin-3-one
CID 57516786
(2S,5S)-2,5-dimethylmorpholin-3-one
CID 55303247
2,6-Dimethylmorpholin-3-one
CID 14243216
(2S,6R)-2,6-dimethylmorpholin-3-one
CID 55287157
(2R,5R)-2,5-dimethylmorpholin-3-one
CID 57974050
Morpholine-2,5-dione
CID 1714329
6-(Propan-2-yl)-3-methyl-morpholine-2,5-dione
CID 86169632
(2R)-2-methylmorpholin-3-one
CID 13440629
Morpholine-2,3-dione
CID 5108689
3-Methylmorpholine-2,5-dione
CID 11815872

Frequently Asked Questions

What is the IUPAC name of 6-methylmorpholine-2,5-dione?
The IUPAC name of 6-methylmorpholine-2,5-dione (CID 19373531) is 6-methylmorpholine-2,5-dione.
What is the SMILES notation for 6-methylmorpholine-2,5-dione?
The canonical SMILES for 6-methylmorpholine-2,5-dione is CC1OC(=O)CNC1=O.
What is the InChIKey of 6-methylmorpholine-2,5-dione?
The InChIKey is OBVBGIKXUJJGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-3-5(8)6-2-4(7)9-3/h3H,2H2,1H3,(H,6,8).
What are the key properties of 6-methylmorpholine-2,5-dione?
6-methylmorpholine-2,5-dione has a molecular weight of 129.11 g/mol, XLogP of -0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylmorpholine-2,5-dione is sourced from PubChem (CID 19373531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).