4,5,5-trimethylmorpholin-3-one

C7H13NO2 — CID 22949120

IUPAC4,5,5-trimethylmorpholin-3-one
SMILESCN1C(=O)COCC1(C)C
InChIInChI=1S/C7H13NO2/c1-7(2)5-10-4-6(9)8(7)3/h4-5H2,1-3H3
InChIKeyCJFGPEVDMQKNAF-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds

About 4,5,5-trimethylmorpholin-3-one

4,5,5-trimethylmorpholin-3-one (PubChem CID 22949120) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4,5,5-trimethylmorpholin-3-one.

Molecular Properties

Compound Name4,5,5-trimethylmorpholin-3-one
PubChem CID22949120
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4,5,5-trimethylmorpholin-3-one
SMILESCN1C(=O)COCC1(C)C
InChIInChI=1S/C7H13NO2/c1-7(2)5-10-4-6(9)8(7)3/h4-5H2,1-3H3
InChIKeyCJFGPEVDMQKNAF-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethylmorpholin-3-one?
The IUPAC name of 4,5,5-trimethylmorpholin-3-one (CID 22949120) is 4,5,5-trimethylmorpholin-3-one.
What is the SMILES notation for 4,5,5-trimethylmorpholin-3-one?
The canonical SMILES for 4,5,5-trimethylmorpholin-3-one is CN1C(=O)COCC1(C)C.
What is the InChIKey of 4,5,5-trimethylmorpholin-3-one?
The InChIKey is CJFGPEVDMQKNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)5-10-4-6(9)8(7)3/h4-5H2,1-3H3.
What are the key properties of 4,5,5-trimethylmorpholin-3-one?
4,5,5-trimethylmorpholin-3-one has a molecular weight of 143.19 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethylmorpholin-3-one is sourced from PubChem (CID 22949120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).