5-methyl-2,3-dihydro-1,4-oxazin-6-one

C5H7NO2 — CID 45086551

IUPAC5-methyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1=NCCOC1=O
InChIInChI=1S/C5H7NO2/c1-4-5(7)8-3-2-6-4/h2-3H2,1H3
InChIKeyURWKQGOPVMZZAM-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.00
Rot. Bonds

About 5-methyl-2,3-dihydro-1,4-oxazin-6-one

5-methyl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 45086551) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID45086551
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name5-methyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1=NCCOC1=O
InChIInChI=1S/C5H7NO2/c1-4-5(7)8-3-2-6-4/h2-3H2,1H3
InChIKeyURWKQGOPVMZZAM-UHFFFAOYSA-N
XLogP0.00
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of 5-methyl-2,3-dihydro-1,4-oxazin-6-one (CID 45086551) is 5-methyl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for 5-methyl-2,3-dihydro-1,4-oxazin-6-one is CC1=NCCOC1=O.
What is the InChIKey of 5-methyl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is URWKQGOPVMZZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4-5(7)8-3-2-6-4/h2-3H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,4-oxazin-6-one?
5-methyl-2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 113.12 g/mol, XLogP of 0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 45086551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).