2-deuterio-3,4-dihydrooxazine

C4H7NO — CID 175703388

IUPAC2-deuterio-3,4-dihydrooxazine
SMILES[2H]N1CCC=CO1
InChIInChI=1S/C4H7NO/c1-2-4-6-5-3-1/h2,4-5H,1,3H2/i/hD
InChIKeyBOLMDIXLULGTBD-DYCDLGHISA-N
MW86.11 g/mol
LogP0.43
Rot. Bonds

About 2-deuterio-3,4-dihydrooxazine

2-deuterio-3,4-dihydrooxazine (PubChem CID 175703388) has the molecular formula C4H7NO and a molecular weight of 86.11 g/mol. Its IUPAC name is 2-deuterio-3,4-dihydrooxazine.

Molecular Properties

Compound Name2-deuterio-3,4-dihydrooxazine
PubChem CID175703388
Molecular FormulaC4H7NO
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC Name2-deuterio-3,4-dihydrooxazine
SMILES[2H]N1CCC=CO1
InChIInChI=1S/C4H7NO/c1-2-4-6-5-3-1/h2,4-5H,1,3H2/i/hD
InChIKeyBOLMDIXLULGTBD-DYCDLGHISA-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 ≤ 50086.11
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-deuterio-3,4-dihydrooxazine?
The IUPAC name of 2-deuterio-3,4-dihydrooxazine (CID 175703388) is 2-deuterio-3,4-dihydrooxazine.
What is the SMILES notation for 2-deuterio-3,4-dihydrooxazine?
The canonical SMILES for 2-deuterio-3,4-dihydrooxazine is [2H]N1CCC=CO1.
What is the InChIKey of 2-deuterio-3,4-dihydrooxazine?
The InChIKey is BOLMDIXLULGTBD-DYCDLGHISA-N. The full InChI is InChI=1S/C4H7NO/c1-2-4-6-5-3-1/h2,4-5H,1,3H2/i/hD.
What are the key properties of 2-deuterio-3,4-dihydrooxazine?
2-deuterio-3,4-dihydrooxazine has a molecular weight of 86.11 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-deuterio-3,4-dihydrooxazine is sourced from PubChem (CID 175703388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).