3,3,5,5-tetradeuteriomorpholine

C4H9NO — CID 12723873

IUPAC3,3,5,5-tetradeuteriomorpholine
SMILES[2H]C1([2H])COCC([2H])([2H])N1
InChIInChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2/i1D2,2D2
InChIKeyYNAVUWVOSKDBBP-LNLMKGTHSA-N
MW91.15 g/mol
LogP-0.39
Rot. Bonds

About 3,3,5,5-tetradeuteriomorpholine

3,3,5,5-tetradeuteriomorpholine (PubChem CID 12723873) has the molecular formula C4H9NO and a molecular weight of 91.15 g/mol. Its IUPAC name is 3,3,5,5-tetradeuteriomorpholine.

Molecular Properties

Compound Name3,3,5,5-tetradeuteriomorpholine
PubChem CID12723873
Molecular FormulaC4H9NO
Molecular Weight91.15 g/mol
Exact Mass91.09
IUPAC Name3,3,5,5-tetradeuteriomorpholine
SMILES[2H]C1([2H])COCC([2H])([2H])N1
InChIInChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2/i1D2,2D2
InChIKeyYNAVUWVOSKDBBP-LNLMKGTHSA-N
XLogP-0.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetradeuteriomorpholine?
The IUPAC name of 3,3,5,5-tetradeuteriomorpholine (CID 12723873) is 3,3,5,5-tetradeuteriomorpholine.
What is the SMILES notation for 3,3,5,5-tetradeuteriomorpholine?
The canonical SMILES for 3,3,5,5-tetradeuteriomorpholine is [2H]C1([2H])COCC([2H])([2H])N1.
What is the InChIKey of 3,3,5,5-tetradeuteriomorpholine?
The InChIKey is YNAVUWVOSKDBBP-LNLMKGTHSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2/i1D2,2D2.
What are the key properties of 3,3,5,5-tetradeuteriomorpholine?
3,3,5,5-tetradeuteriomorpholine has a molecular weight of 91.15 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetradeuteriomorpholine is sourced from PubChem (CID 12723873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).