3-methylmorpholine-2,5-dione

C5H7NO3 — CID 11815872

IUPAC3-methylmorpholine-2,5-dione
SMILESCC1NC(=O)COC1=O
InChIInChI=1S/C5H7NO3/c1-3-5(8)9-2-4(7)6-3/h3H,2H2,1H3,(H,6,7)
InChIKeyKNMQEWSKCAMAIM-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.95
Rot. Bonds

About 3-methylmorpholine-2,5-dione

3-methylmorpholine-2,5-dione (PubChem CID 11815872) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-methylmorpholine-2,5-dione.

Molecular Properties

Compound Name3-methylmorpholine-2,5-dione
PubChem CID11815872
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-methylmorpholine-2,5-dione
SMILESCC1NC(=O)COC1=O
InChIInChI=1S/C5H7NO3/c1-3-5(8)9-2-4(7)6-3/h3H,2H2,1H3,(H,6,7)
InChIKeyKNMQEWSKCAMAIM-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
(5R)-5-methylmorpholin-3-one
CID 12400352
(5S)-5-Methylmorpholin-3-one
CID 12400353
ethyl N-acetyl-l-alaninate
CID 11805045
methyl (2S)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 14985583
Methyl 2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322547
methyl (2R)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322930
Morpholine-2,5-dione
CID 1714329
3-Isopropylmorpholine-2,5-dione
CID 45096033
2-Acetylaminopropionic acid ethyl ester
CID 11008202
Morpholine-2,3-dione
CID 5108689
(3S)-3-propan-2-ylmorpholine-2,5-dione
CID 10997296

Frequently Asked Questions

What is the IUPAC name of 3-methylmorpholine-2,5-dione?
The IUPAC name of 3-methylmorpholine-2,5-dione (CID 11815872) is 3-methylmorpholine-2,5-dione.
What is the SMILES notation for 3-methylmorpholine-2,5-dione?
The canonical SMILES for 3-methylmorpholine-2,5-dione is CC1NC(=O)COC1=O.
What is the InChIKey of 3-methylmorpholine-2,5-dione?
The InChIKey is KNMQEWSKCAMAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-3-5(8)9-2-4(7)6-3/h3H,2H2,1H3,(H,6,7).
What are the key properties of 3-methylmorpholine-2,5-dione?
3-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 3-methylmorpholine-2,5-dione is sourced from PubChem (CID 11815872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).