3,3-dideuterio-5-methylmorpholine

C5H11NO — CID 175104170

IUPAC3,3-dideuterio-5-methylmorpholine
SMILES[2H]C1([2H])COCC(C)N1
InChIInChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/i2D2
InChIKeySFWWGMKXCYLZEG-CBTSVUPCSA-N
MW103.16 g/mol
LogP-0.01
Rot. Bonds

About 3,3-dideuterio-5-methylmorpholine

3,3-dideuterio-5-methylmorpholine (PubChem CID 175104170) has the molecular formula C5H11NO and a molecular weight of 103.16 g/mol. Its IUPAC name is 3,3-dideuterio-5-methylmorpholine.

Molecular Properties

Compound Name3,3-dideuterio-5-methylmorpholine
PubChem CID175104170
Molecular FormulaC5H11NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Name3,3-dideuterio-5-methylmorpholine
SMILES[2H]C1([2H])COCC(C)N1
InChIInChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/i2D2
InChIKeySFWWGMKXCYLZEG-CBTSVUPCSA-N
XLogP-0.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dideuterio-5-methylmorpholine?
The IUPAC name of 3,3-dideuterio-5-methylmorpholine (CID 175104170) is 3,3-dideuterio-5-methylmorpholine.
What is the SMILES notation for 3,3-dideuterio-5-methylmorpholine?
The canonical SMILES for 3,3-dideuterio-5-methylmorpholine is [2H]C1([2H])COCC(C)N1.
What is the InChIKey of 3,3-dideuterio-5-methylmorpholine?
The InChIKey is SFWWGMKXCYLZEG-CBTSVUPCSA-N. The full InChI is InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/i2D2.
What are the key properties of 3,3-dideuterio-5-methylmorpholine?
3,3-dideuterio-5-methylmorpholine has a molecular weight of 103.16 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dideuterio-5-methylmorpholine is sourced from PubChem (CID 175104170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).