3-methyl-1,3-oxazinan-4-one

C5H9NO2 — CID 15561477

IUPAC3-methyl-1,3-oxazinan-4-one
SMILESCN1COCCC1=O
InChIInChI=1S/C5H9NO2/c1-6-4-8-3-2-5(6)7/h2-4H2,1H3
InChIKeyKWPNFXFPBKCJCM-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.18
Rot. Bonds

About 3-methyl-1,3-oxazinan-4-one

3-methyl-1,3-oxazinan-4-one (PubChem CID 15561477) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-methyl-1,3-oxazinan-4-one.

Molecular Properties

Compound Name3-methyl-1,3-oxazinan-4-one
PubChem CID15561477
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-methyl-1,3-oxazinan-4-one
SMILESCN1COCCC1=O
InChIInChI=1S/C5H9NO2/c1-6-4-8-3-2-5(6)7/h2-4H2,1H3
InChIKeyKWPNFXFPBKCJCM-UHFFFAOYSA-N
XLogP-0.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazinan-4-one?
The IUPAC name of 3-methyl-1,3-oxazinan-4-one (CID 15561477) is 3-methyl-1,3-oxazinan-4-one.
What is the SMILES notation for 3-methyl-1,3-oxazinan-4-one?
The canonical SMILES for 3-methyl-1,3-oxazinan-4-one is CN1COCCC1=O.
What is the InChIKey of 3-methyl-1,3-oxazinan-4-one?
The InChIKey is KWPNFXFPBKCJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-4-8-3-2-5(6)7/h2-4H2,1H3.
What are the key properties of 3-methyl-1,3-oxazinan-4-one?
3-methyl-1,3-oxazinan-4-one has a molecular weight of 115.13 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazinan-4-one is sourced from PubChem (CID 15561477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).