4-(3-propoxypropyl)morpholine-2,6-dione

C10H17NO4 — CID 82947424

IUPAC4-(3-propoxypropyl)morpholine-2,6-dione
SMILESCCCOCCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C10H17NO4/c1-2-5-14-6-3-4-11-7-9(12)15-10(13)8-11/h2-8H2,1H3
InChIKeyCMDMLNDRNNRGSD-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.19
Rot. Bonds6

About 4-(3-propoxypropyl)morpholine-2,6-dione

4-(3-propoxypropyl)morpholine-2,6-dione (PubChem CID 82947424) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(3-propoxypropyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(3-propoxypropyl)morpholine-2,6-dione
PubChem CID82947424
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-(3-propoxypropyl)morpholine-2,6-dione
SMILESCCCOCCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C10H17NO4/c1-2-5-14-6-3-4-11-7-9(12)15-10(13)8-11/h2-8H2,1H3
InChIKeyCMDMLNDRNNRGSD-UHFFFAOYSA-N
XLogP0.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propoxypropyl)morpholine-2,6-dione?
The IUPAC name of 4-(3-propoxypropyl)morpholine-2,6-dione (CID 82947424) is 4-(3-propoxypropyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(3-propoxypropyl)morpholine-2,6-dione?
The canonical SMILES for 4-(3-propoxypropyl)morpholine-2,6-dione is CCCOCCCN1CC(=O)OC(=O)C1.
What is the InChIKey of 4-(3-propoxypropyl)morpholine-2,6-dione?
The InChIKey is CMDMLNDRNNRGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-5-14-6-3-4-11-7-9(12)15-10(13)8-11/h2-8H2,1H3.
What are the key properties of 4-(3-propoxypropyl)morpholine-2,6-dione?
4-(3-propoxypropyl)morpholine-2,6-dione has a molecular weight of 215.25 g/mol, XLogP of 0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propoxypropyl)morpholine-2,6-dione is sourced from PubChem (CID 82947424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).