5,6-dimethylmorpholine-2,3-dione

C6H9NO3 — CID 3469206

IUPAC5,6-dimethylmorpholine-2,3-dione
SMILESCC1NC(=O)C(=O)OC1C
InChIInChI=1S/C6H9NO3/c1-3-4(2)10-6(9)5(8)7-3/h3-4H,1-2H3,(H,7,8)
InChIKeyRVXHYESVPAJQTO-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.56
Rot. Bonds

About 5,6-dimethylmorpholine-2,3-dione

5,6-dimethylmorpholine-2,3-dione (PubChem CID 3469206) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 5,6-dimethylmorpholine-2,3-dione.

Molecular Properties

Compound Name5,6-dimethylmorpholine-2,3-dione
PubChem CID3469206
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name5,6-dimethylmorpholine-2,3-dione
SMILESCC1NC(=O)C(=O)OC1C
InChIInChI=1S/C6H9NO3/c1-3-4(2)10-6(9)5(8)7-3/h3-4H,1-2H3,(H,7,8)
InChIKeyRVXHYESVPAJQTO-UHFFFAOYSA-N
XLogP-0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methylmorpholin-3-one
CID 12400352
(5S)-5-Methylmorpholin-3-one
CID 12400353
(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
3-Isopropylmorpholine-2,5-dione
CID 45096033
6-(Propan-2-yl)-3-methyl-morpholine-2,5-dione
CID 86169632
(2R)-2-methylmorpholin-3-one
CID 13440629

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylmorpholine-2,3-dione?
The IUPAC name of 5,6-dimethylmorpholine-2,3-dione (CID 3469206) is 5,6-dimethylmorpholine-2,3-dione.
What is the SMILES notation for 5,6-dimethylmorpholine-2,3-dione?
The canonical SMILES for 5,6-dimethylmorpholine-2,3-dione is CC1NC(=O)C(=O)OC1C.
What is the InChIKey of 5,6-dimethylmorpholine-2,3-dione?
The InChIKey is RVXHYESVPAJQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-4(2)10-6(9)5(8)7-3/h3-4H,1-2H3,(H,7,8).
What are the key properties of 5,6-dimethylmorpholine-2,3-dione?
5,6-dimethylmorpholine-2,3-dione has a molecular weight of 143.14 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylmorpholine-2,3-dione is sourced from PubChem (CID 3469206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).