3-methyl-4H-oxazine

C5H7NO — CID 154473987

IUPAC3-methyl-4H-oxazine
SMILESCC1=NOC=CC1
InChIInChI=1S/C5H7NO/c1-5-3-2-4-7-6-5/h2,4H,3H2,1H3
InChIKeyRYBVCGYOVNAJLU-UHFFFAOYSA-N
MW97.12 g/mol
LogP1.30
Rot. Bonds

About 3-methyl-4H-oxazine

3-methyl-4H-oxazine (PubChem CID 154473987) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-methyl-4H-oxazine.

Molecular Properties

Compound Name3-methyl-4H-oxazine
PubChem CID154473987
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-methyl-4H-oxazine
SMILESCC1=NOC=CC1
InChIInChI=1S/C5H7NO/c1-5-3-2-4-7-6-5/h2,4H,3H2,1H3
InChIKeyRYBVCGYOVNAJLU-UHFFFAOYSA-N
XLogP1.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-oxazine?
The IUPAC name of 3-methyl-4H-oxazine (CID 154473987) is 3-methyl-4H-oxazine.
What is the SMILES notation for 3-methyl-4H-oxazine?
The canonical SMILES for 3-methyl-4H-oxazine is CC1=NOC=CC1.
What is the InChIKey of 3-methyl-4H-oxazine?
The InChIKey is RYBVCGYOVNAJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-5-3-2-4-7-6-5/h2,4H,3H2,1H3.
What are the key properties of 3-methyl-4H-oxazine?
3-methyl-4H-oxazine has a molecular weight of 97.12 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-oxazine is sourced from PubChem (CID 154473987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).