dimorpholin-4-ylmethanone

C9H16N2O3 — CID 655428

IUPACdimorpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H16N2O3/c12-9(10-1-5-13-6-2-10)11-3-7-14-8-4-11/h1-8H2
InChIKeyQONGECDDDTYBGS-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.23
Rot. Bonds

About dimorpholin-4-ylmethanone

dimorpholin-4-ylmethanone (PubChem CID 655428) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is dimorpholin-4-ylmethanone.

Molecular Properties

Compound Namedimorpholin-4-ylmethanone
PubChem CID655428
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namedimorpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H16N2O3/c12-9(10-1-5-13-6-2-10)11-3-7-14-8-4-11/h1-8H2
InChIKeyQONGECDDDTYBGS-UHFFFAOYSA-N
XLogP-0.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dimorpholin-4-ylmethanone?
The IUPAC name of dimorpholin-4-ylmethanone (CID 655428) is dimorpholin-4-ylmethanone.
What is the SMILES notation for dimorpholin-4-ylmethanone?
The canonical SMILES for dimorpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of dimorpholin-4-ylmethanone?
The InChIKey is QONGECDDDTYBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-9(10-1-5-13-6-2-10)11-3-7-14-8-4-11/h1-8H2.
What are the key properties of dimorpholin-4-ylmethanone?
dimorpholin-4-ylmethanone has a molecular weight of 200.24 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimorpholin-4-ylmethanone is sourced from PubChem (CID 655428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).