4-methylmorpholin-3-one

C5H9NO2 — CID 11007867

IUPAC4-methylmorpholin-3-one
SMILESCN1CCOCC1=O
InChIInChI=1S/C5H9NO2/c1-6-2-3-8-4-5(6)7/h2-4H2,1H3
InChIKeyFGQBGDBLZZPFCM-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.52
Rot. Bonds

About 4-methylmorpholin-3-one

4-methylmorpholin-3-one (PubChem CID 11007867) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 4-methylmorpholin-3-one.

Molecular Properties

Compound Name4-methylmorpholin-3-one
PubChem CID11007867
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name4-methylmorpholin-3-one
SMILESCN1CCOCC1=O
InChIInChI=1S/C5H9NO2/c1-6-2-3-8-4-5(6)7/h2-4H2,1H3
InChIKeyFGQBGDBLZZPFCM-UHFFFAOYSA-N
XLogP-0.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

Analyze 4-methylmorpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholin-3-one?
The IUPAC name of 4-methylmorpholin-3-one (CID 11007867) is 4-methylmorpholin-3-one.
What is the SMILES notation for 4-methylmorpholin-3-one?
The canonical SMILES for 4-methylmorpholin-3-one is CN1CCOCC1=O.
What is the InChIKey of 4-methylmorpholin-3-one?
The InChIKey is FGQBGDBLZZPFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-2-3-8-4-5(6)7/h2-4H2,1H3.
What are the key properties of 4-methylmorpholin-3-one?
4-methylmorpholin-3-one has a molecular weight of 115.13 g/mol, XLogP of -0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholin-3-one is sourced from PubChem (CID 11007867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).