2-methyl-3,6-dihydro-2H-1,3-oxazine

C5H9NO — CID 147785216

IUPAC2-methyl-3,6-dihydro-2H-1,3-oxazine
SMILESCC1NC=CCO1
InChIInChI=1S/C5H9NO/c1-5-6-3-2-4-7-5/h2-3,5-6H,4H2,1H3
InChIKeyHIOBWAKXJPXDPJ-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.47
Rot. Bonds

About 2-methyl-3,6-dihydro-2H-1,3-oxazine

2-methyl-3,6-dihydro-2H-1,3-oxazine (PubChem CID 147785216) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methyl-3,6-dihydro-2H-1,3-oxazine.

Molecular Properties

Compound Name2-methyl-3,6-dihydro-2H-1,3-oxazine
PubChem CID147785216
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methyl-3,6-dihydro-2H-1,3-oxazine
SMILESCC1NC=CCO1
InChIInChI=1S/C5H9NO/c1-5-6-3-2-4-7-5/h2-3,5-6H,4H2,1H3
InChIKeyHIOBWAKXJPXDPJ-UHFFFAOYSA-N
XLogP0.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6-dihydro-2H-1,3-oxazine?
The IUPAC name of 2-methyl-3,6-dihydro-2H-1,3-oxazine (CID 147785216) is 2-methyl-3,6-dihydro-2H-1,3-oxazine.
What is the SMILES notation for 2-methyl-3,6-dihydro-2H-1,3-oxazine?
The canonical SMILES for 2-methyl-3,6-dihydro-2H-1,3-oxazine is CC1NC=CCO1.
What is the InChIKey of 2-methyl-3,6-dihydro-2H-1,3-oxazine?
The InChIKey is HIOBWAKXJPXDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5-6-3-2-4-7-5/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-methyl-3,6-dihydro-2H-1,3-oxazine?
2-methyl-3,6-dihydro-2H-1,3-oxazine has a molecular weight of 99.13 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6-dihydro-2H-1,3-oxazine is sourced from PubChem (CID 147785216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).