4-methylmorpholin-2-one

C5H9NO2 — CID 519559

IUPAC4-methylmorpholin-2-one
SMILESCN1CCOC(=O)C1
InChIInChI=1S/C5H9NO2/c1-6-2-3-8-5(7)4-6/h2-4H2,1H3
InChIKeyNMAIBUJJZUMSPH-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.52
Rot. Bonds

About 4-methylmorpholin-2-one

4-methylmorpholin-2-one (PubChem CID 519559) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 4-methylmorpholin-2-one.

Molecular Properties

Compound Name4-methylmorpholin-2-one
PubChem CID519559
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name4-methylmorpholin-2-one
SMILESCN1CCOC(=O)C1
InChIInChI=1S/C5H9NO2/c1-6-2-3-8-5(7)4-6/h2-4H2,1H3
InChIKeyNMAIBUJJZUMSPH-UHFFFAOYSA-N
XLogP-0.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholin-2-one?
The IUPAC name of 4-methylmorpholin-2-one (CID 519559) is 4-methylmorpholin-2-one.
What is the SMILES notation for 4-methylmorpholin-2-one?
The canonical SMILES for 4-methylmorpholin-2-one is CN1CCOC(=O)C1.
What is the InChIKey of 4-methylmorpholin-2-one?
The InChIKey is NMAIBUJJZUMSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-2-3-8-5(7)4-6/h2-4H2,1H3.
What are the key properties of 4-methylmorpholin-2-one?
4-methylmorpholin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholin-2-one is sourced from PubChem (CID 519559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).