3-(3-propoxypropyl)morpholin-2-one

C10H19NO3 — CID 91368243

IUPAC3-(3-propoxypropyl)morpholin-2-one
SMILESCCCOCCCC1NCCOC1=O
InChIInChI=1S/C10H19NO3/c1-2-6-13-7-3-4-9-10(12)14-8-5-11-9/h9,11H,2-8H2,1H3
InChIKeyDYRWUTAQOYPTAB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds6

About 3-(3-propoxypropyl)morpholin-2-one

3-(3-propoxypropyl)morpholin-2-one (PubChem CID 91368243) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3-propoxypropyl)morpholin-2-one.

Molecular Properties

Compound Name3-(3-propoxypropyl)morpholin-2-one
PubChem CID91368243
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(3-propoxypropyl)morpholin-2-one
SMILESCCCOCCCC1NCCOC1=O
InChIInChI=1S/C10H19NO3/c1-2-6-13-7-3-4-9-10(12)14-8-5-11-9/h9,11H,2-8H2,1H3
InChIKeyDYRWUTAQOYPTAB-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypropyl)morpholin-2-one?
The IUPAC name of 3-(3-propoxypropyl)morpholin-2-one (CID 91368243) is 3-(3-propoxypropyl)morpholin-2-one.
What is the SMILES notation for 3-(3-propoxypropyl)morpholin-2-one?
The canonical SMILES for 3-(3-propoxypropyl)morpholin-2-one is CCCOCCCC1NCCOC1=O.
What is the InChIKey of 3-(3-propoxypropyl)morpholin-2-one?
The InChIKey is DYRWUTAQOYPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-6-13-7-3-4-9-10(12)14-8-5-11-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-(3-propoxypropyl)morpholin-2-one?
3-(3-propoxypropyl)morpholin-2-one has a molecular weight of 201.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropyl)morpholin-2-one is sourced from PubChem (CID 91368243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).