2,3,3,4,4-pentadeuteriooxazine

C4H7NO — CID 175986866

IUPAC2,3,3,4,4-pentadeuteriooxazine
SMILES[2H]N1OC=CC([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C4H7NO/c1-2-4-6-5-3-1/h2,4-5H,1,3H2/i1D2,3D2/hD
InChIKeyBOLMDIXLULGTBD-JKCHHHCFSA-N
MW90.14 g/mol
LogP0.43
Rot. Bonds

About 2,3,3,4,4-pentadeuteriooxazine

2,3,3,4,4-pentadeuteriooxazine (PubChem CID 175986866) has the molecular formula C4H7NO and a molecular weight of 90.14 g/mol. Its IUPAC name is 2,3,3,4,4-pentadeuteriooxazine.

Molecular Properties

Compound Name2,3,3,4,4-pentadeuteriooxazine
PubChem CID175986866
Molecular FormulaC4H7NO
Molecular Weight90.14 g/mol
Exact Mass90.08
IUPAC Name2,3,3,4,4-pentadeuteriooxazine
SMILES[2H]N1OC=CC([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C4H7NO/c1-2-4-6-5-3-1/h2,4-5H,1,3H2/i1D2,3D2/hD
InChIKeyBOLMDIXLULGTBD-JKCHHHCFSA-N
XLogP0.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentadeuteriooxazine?
The IUPAC name of 2,3,3,4,4-pentadeuteriooxazine (CID 175986866) is 2,3,3,4,4-pentadeuteriooxazine.
What is the SMILES notation for 2,3,3,4,4-pentadeuteriooxazine?
The canonical SMILES for 2,3,3,4,4-pentadeuteriooxazine is [2H]N1OC=CC([2H])([2H])C1([2H])[2H].
What is the InChIKey of 2,3,3,4,4-pentadeuteriooxazine?
The InChIKey is BOLMDIXLULGTBD-JKCHHHCFSA-N. The full InChI is InChI=1S/C4H7NO/c1-2-4-6-5-3-1/h2,4-5H,1,3H2/i1D2,3D2/hD.
What are the key properties of 2,3,3,4,4-pentadeuteriooxazine?
2,3,3,4,4-pentadeuteriooxazine has a molecular weight of 90.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentadeuteriooxazine is sourced from PubChem (CID 175986866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).