4-(2,2-diethoxyethyl)morpholin-3-one

C10H19NO4 — CID 79468130

IUPAC4-(2,2-diethoxyethyl)morpholin-3-one
SMILESCCOC(CN1CCOCC1=O)OCC
InChIInChI=1S/C10H19NO4/c1-3-14-10(15-4-2)7-11-5-6-13-8-9(11)12/h10H,3-8H2,1-2H3
InChIKeyNALHFOHZJHVLHB-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.24
Rot. Bonds6

About 4-(2,2-diethoxyethyl)morpholin-3-one

4-(2,2-diethoxyethyl)morpholin-3-one (PubChem CID 79468130) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(2,2-diethoxyethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2,2-diethoxyethyl)morpholin-3-one
PubChem CID79468130
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(2,2-diethoxyethyl)morpholin-3-one
SMILESCCOC(CN1CCOCC1=O)OCC
InChIInChI=1S/C10H19NO4/c1-3-14-10(15-4-2)7-11-5-6-13-8-9(11)12/h10H,3-8H2,1-2H3
InChIKeyNALHFOHZJHVLHB-UHFFFAOYSA-N
XLogP0.24
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethyl)morpholin-3-one?
The IUPAC name of 4-(2,2-diethoxyethyl)morpholin-3-one (CID 79468130) is 4-(2,2-diethoxyethyl)morpholin-3-one.
What is the SMILES notation for 4-(2,2-diethoxyethyl)morpholin-3-one?
The canonical SMILES for 4-(2,2-diethoxyethyl)morpholin-3-one is CCOC(CN1CCOCC1=O)OCC.
What is the InChIKey of 4-(2,2-diethoxyethyl)morpholin-3-one?
The InChIKey is NALHFOHZJHVLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-14-10(15-4-2)7-11-5-6-13-8-9(11)12/h10H,3-8H2,1-2H3.
What are the key properties of 4-(2,2-diethoxyethyl)morpholin-3-one?
4-(2,2-diethoxyethyl)morpholin-3-one has a molecular weight of 217.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethyl)morpholin-3-one is sourced from PubChem (CID 79468130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).