3,4-dihydro-2H-1,3-oxazine

C4H7NO — CID 19939796

IUPAC3,4-dihydro-2H-1,3-oxazine
SMILESC1=COCNC1
InChIInChI=1S/C4H7NO/c1-2-5-4-6-3-1/h1,3,5H,2,4H2
InChIKeyNLXFKDHULKLENC-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.08
Rot. Bonds

About 3,4-dihydro-2H-1,3-oxazine

3,4-dihydro-2H-1,3-oxazine (PubChem CID 19939796) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,3-oxazine.

Molecular Properties

Compound Name3,4-dihydro-2H-1,3-oxazine
PubChem CID19939796
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name3,4-dihydro-2H-1,3-oxazine
SMILESC1=COCNC1
InChIInChI=1S/C4H7NO/c1-2-5-4-6-3-1/h1,3,5H,2,4H2
InChIKeyNLXFKDHULKLENC-UHFFFAOYSA-N
XLogP0.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,3-oxazine?
The IUPAC name of 3,4-dihydro-2H-1,3-oxazine (CID 19939796) is 3,4-dihydro-2H-1,3-oxazine.
What is the SMILES notation for 3,4-dihydro-2H-1,3-oxazine?
The canonical SMILES for 3,4-dihydro-2H-1,3-oxazine is C1=COCNC1.
What is the InChIKey of 3,4-dihydro-2H-1,3-oxazine?
The InChIKey is NLXFKDHULKLENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h1,3,5H,2,4H2.
What are the key properties of 3,4-dihydro-2H-1,3-oxazine?
3,4-dihydro-2H-1,3-oxazine has a molecular weight of 85.11 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,3-oxazine is sourced from PubChem (CID 19939796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).