2-methylmorpholin-3-one

C5H9NO2 — CID 13440628

IUPAC2-methylmorpholin-3-one
SMILESCC1OCCNC1=O
InChIInChI=1S/C5H9NO2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyLEGKNUIZNFTVBI-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.48
Rot. Bonds

About 2-methylmorpholin-3-one

2-methylmorpholin-3-one (PubChem CID 13440628) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-methylmorpholin-3-one.

Molecular Properties

Compound Name2-methylmorpholin-3-one
PubChem CID13440628
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-methylmorpholin-3-one
SMILESCC1OCCNC1=O
InChIInChI=1S/C5H9NO2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyLEGKNUIZNFTVBI-UHFFFAOYSA-N
XLogP-0.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylmorpholin-3-one?
The IUPAC name of 2-methylmorpholin-3-one (CID 13440628) is 2-methylmorpholin-3-one.
What is the SMILES notation for 2-methylmorpholin-3-one?
The canonical SMILES for 2-methylmorpholin-3-one is CC1OCCNC1=O.
What is the InChIKey of 2-methylmorpholin-3-one?
The InChIKey is LEGKNUIZNFTVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-methylmorpholin-3-one?
2-methylmorpholin-3-one has a molecular weight of 115.13 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylmorpholin-3-one is sourced from PubChem (CID 13440628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).