(5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one

C6H9NO2 — CID 45086570

IUPAC(5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one
SMILESCC1=N[C@@H](C)C(=O)OC1
InChIInChI=1S/C6H9NO2/c1-4-3-9-6(8)5(2)7-4/h5H,3H2,1-2H3/t5-/m0/s1
InChIKeyJEKCRYNAZBTYFS-YFKPBYRVSA-N
MW127.14 g/mol
LogP0.39
Rot. Bonds

About (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one

(5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one (PubChem CID 45086570) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name(5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one
PubChem CID45086570
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one
SMILESCC1=N[C@@H](C)C(=O)OC1
InChIInChI=1S/C6H9NO2/c1-4-3-9-6(8)5(2)7-4/h5H,3H2,1-2H3/t5-/m0/s1
InChIKeyJEKCRYNAZBTYFS-YFKPBYRVSA-N
XLogP0.39
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one?
The IUPAC name of (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one (CID 45086570) is (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one?
The canonical SMILES for (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one is CC1=N[C@@H](C)C(=O)OC1.
What is the InChIKey of (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one?
The InChIKey is JEKCRYNAZBTYFS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-3-9-6(8)5(2)7-4/h5H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one?
(5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one has a molecular weight of 127.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 45086570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).