4-(hydroxymethyl)morpholin-3-one

C5H9NO3 — CID 54148991

IUPAC4-(hydroxymethyl)morpholin-3-one
SMILESO=C1COCCN1CO
InChIInChI=1S/C5H9NO3/c7-4-6-1-2-9-3-5(6)8/h7H,1-4H2
InChIKeyOGKHVOMVHUSUKG-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.21
Rot. Bonds1

About 4-(hydroxymethyl)morpholin-3-one

4-(hydroxymethyl)morpholin-3-one (PubChem CID 54148991) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 4-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(hydroxymethyl)morpholin-3-one
PubChem CID54148991
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name4-(hydroxymethyl)morpholin-3-one
SMILESO=C1COCCN1CO
InChIInChI=1S/C5H9NO3/c7-4-6-1-2-9-3-5(6)8/h7H,1-4H2
InChIKeyOGKHVOMVHUSUKG-UHFFFAOYSA-N
XLogP-1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-(hydroxymethyl)morpholin-3-one (CID 54148991) is 4-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-(hydroxymethyl)morpholin-3-one is O=C1COCCN1CO.
What is the InChIKey of 4-(hydroxymethyl)morpholin-3-one?
The InChIKey is OGKHVOMVHUSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-4-6-1-2-9-3-5(6)8/h7H,1-4H2.
What are the key properties of 4-(hydroxymethyl)morpholin-3-one?
4-(hydroxymethyl)morpholin-3-one has a molecular weight of 131.13 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 54148991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).