1,3-dimorpholin-4-ylpropan-1-one

C11H20N2O3 — CID 11042490

IUPAC1,3-dimorpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O3/c14-11(13-5-9-16-10-6-13)1-2-12-3-7-15-8-4-12/h1-10H2
InChIKeyWCYICCTXIBWAFQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.43
Rot. Bonds3

About 1,3-dimorpholin-4-ylpropan-1-one

1,3-dimorpholin-4-ylpropan-1-one (PubChem CID 11042490) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,3-dimorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1,3-dimorpholin-4-ylpropan-1-one
PubChem CID11042490
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1,3-dimorpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O3/c14-11(13-5-9-16-10-6-13)1-2-12-3-7-15-8-4-12/h1-10H2
InChIKeyWCYICCTXIBWAFQ-UHFFFAOYSA-N
XLogP-0.43
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimorpholin-4-ylpropan-1-one?
The IUPAC name of 1,3-dimorpholin-4-ylpropan-1-one (CID 11042490) is 1,3-dimorpholin-4-ylpropan-1-one.
What is the SMILES notation for 1,3-dimorpholin-4-ylpropan-1-one?
The canonical SMILES for 1,3-dimorpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)N1CCOCC1.
What is the InChIKey of 1,3-dimorpholin-4-ylpropan-1-one?
The InChIKey is WCYICCTXIBWAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-11(13-5-9-16-10-6-13)1-2-12-3-7-15-8-4-12/h1-10H2.
What are the key properties of 1,3-dimorpholin-4-ylpropan-1-one?
1,3-dimorpholin-4-ylpropan-1-one has a molecular weight of 228.29 g/mol, XLogP of -0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimorpholin-4-ylpropan-1-one is sourced from PubChem (CID 11042490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).