4-(3,3-diethoxypropyl)morpholin-3-one

C11H21NO4 — CID 79467738

IUPAC4-(3,3-diethoxypropyl)morpholin-3-one
SMILESCCOC(CCN1CCOCC1=O)OCC
InChIInChI=1S/C11H21NO4/c1-3-15-11(16-4-2)5-6-12-7-8-14-9-10(12)13/h11H,3-9H2,1-2H3
InChIKeyLFKVNCFVVPMPEV-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.63
Rot. Bonds7

About 4-(3,3-diethoxypropyl)morpholin-3-one

4-(3,3-diethoxypropyl)morpholin-3-one (PubChem CID 79467738) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(3,3-diethoxypropyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3,3-diethoxypropyl)morpholin-3-one
PubChem CID79467738
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-(3,3-diethoxypropyl)morpholin-3-one
SMILESCCOC(CCN1CCOCC1=O)OCC
InChIInChI=1S/C11H21NO4/c1-3-15-11(16-4-2)5-6-12-7-8-14-9-10(12)13/h11H,3-9H2,1-2H3
InChIKeyLFKVNCFVVPMPEV-UHFFFAOYSA-N
XLogP0.63
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.63
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-(3,3-diethoxypropyl)morpholin-3-one?
The IUPAC name of 4-(3,3-diethoxypropyl)morpholin-3-one (CID 79467738) is 4-(3,3-diethoxypropyl)morpholin-3-one.
What is the SMILES notation for 4-(3,3-diethoxypropyl)morpholin-3-one?
The canonical SMILES for 4-(3,3-diethoxypropyl)morpholin-3-one is CCOC(CCN1CCOCC1=O)OCC.
What is the InChIKey of 4-(3,3-diethoxypropyl)morpholin-3-one?
The InChIKey is LFKVNCFVVPMPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-15-11(16-4-2)5-6-12-7-8-14-9-10(12)13/h11H,3-9H2,1-2H3.
What are the key properties of 4-(3,3-diethoxypropyl)morpholin-3-one?
4-(3,3-diethoxypropyl)morpholin-3-one has a molecular weight of 231.29 g/mol, XLogP of 0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethoxypropyl)morpholin-3-one is sourced from PubChem (CID 79467738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).