2,2-dihydroxymorpholin-3-one

C4H7NO4 — CID 175515836

IUPAC2,2-dihydroxymorpholin-3-one
SMILESO=C1NCCOC1(O)O
InChIInChI=1S/C4H7NO4/c6-3-4(7,8)9-2-1-5-3/h7-8H,1-2H2,(H,5,6)
InChIKeyXNCSYPQTVWSFFL-UHFFFAOYSA-N
MW133.10 g/mol
LogP-2.23
Rot. Bonds

About 2,2-dihydroxymorpholin-3-one

2,2-dihydroxymorpholin-3-one (PubChem CID 175515836) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is 2,2-dihydroxymorpholin-3-one.

Molecular Properties

Compound Name2,2-dihydroxymorpholin-3-one
PubChem CID175515836
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name2,2-dihydroxymorpholin-3-one
SMILESO=C1NCCOC1(O)O
InChIInChI=1S/C4H7NO4/c6-3-4(7,8)9-2-1-5-3/h7-8H,1-2H2,(H,5,6)
InChIKeyXNCSYPQTVWSFFL-UHFFFAOYSA-N
XLogP-2.23
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one
CID 90356921
9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one
CID 58230108
acetyl chloride;1,3-oxazolidin-2-one
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3-ethyl-3-hydroxypyrrolidin-2-one
CID 123912122
4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one
CID 142768617
8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one
CID 89003952
2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one
CID 175206433
(2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one
CID 165109302
1,3-oxazolidin-2-one;hydrate
CID 141149411
1,3-oxazolidin-2-one;stannane
CID 173239925

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxymorpholin-3-one?
The IUPAC name of 2,2-dihydroxymorpholin-3-one (CID 175515836) is 2,2-dihydroxymorpholin-3-one.
What is the SMILES notation for 2,2-dihydroxymorpholin-3-one?
The canonical SMILES for 2,2-dihydroxymorpholin-3-one is O=C1NCCOC1(O)O.
What is the InChIKey of 2,2-dihydroxymorpholin-3-one?
The InChIKey is XNCSYPQTVWSFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c6-3-4(7,8)9-2-1-5-3/h7-8H,1-2H2,(H,5,6).
What are the key properties of 2,2-dihydroxymorpholin-3-one?
2,2-dihydroxymorpholin-3-one has a molecular weight of 133.10 g/mol, XLogP of -2.23, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxymorpholin-3-one is sourced from PubChem (CID 175515836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).