2-methoxy-1-morpholin-4-ylethanone

C7H13NO3 — CID 532078

IUPAC2-methoxy-1-morpholin-4-ylethanone
SMILESCOCC(=O)N1CCOCC1
InChIInChI=1S/C7H13NO3/c1-10-6-7(9)8-2-4-11-5-3-8/h2-6H2,1H3
InChIKeyGGMGHASWIYSLRL-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.51
Rot. Bonds2

About 2-methoxy-1-morpholin-4-ylethanone

2-methoxy-1-morpholin-4-ylethanone (PubChem CID 532078) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-methoxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-methoxy-1-morpholin-4-ylethanone
PubChem CID532078
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-methoxy-1-morpholin-4-ylethanone
SMILESCOCC(=O)N1CCOCC1
InChIInChI=1S/C7H13NO3/c1-10-6-7(9)8-2-4-11-5-3-8/h2-6H2,1H3
InChIKeyGGMGHASWIYSLRL-UHFFFAOYSA-N
XLogP-0.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-methoxy-1-morpholin-4-ylethanone (CID 532078) is 2-methoxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-methoxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-methoxy-1-morpholin-4-ylethanone is COCC(=O)N1CCOCC1.
What is the InChIKey of 2-methoxy-1-morpholin-4-ylethanone?
The InChIKey is GGMGHASWIYSLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-6-7(9)8-2-4-11-5-3-8/h2-6H2,1H3.
What are the key properties of 2-methoxy-1-morpholin-4-ylethanone?
2-methoxy-1-morpholin-4-ylethanone has a molecular weight of 159.19 g/mol, XLogP of -0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 532078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).