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

C6H9NO2 — CID 131982819

IUPAC(3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1=N[C@H](C)COC1=O
InChIInChI=1S/C6H9NO2/c1-4-3-9-6(8)5(2)7-4/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyLWDZEKDLMOCQMB-SCSAIBSYSA-N
MW127.14 g/mol
LogP0.39
Rot. Bonds

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

(3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 131982819) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name(3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID131982819
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1=N[C@H](C)COC1=O
InChIInChI=1S/C6H9NO2/c1-4-3-9-6(8)5(2)7-4/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyLWDZEKDLMOCQMB-SCSAIBSYSA-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

Analyze (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

Methyl 2-(propan-2-ylideneamino)propanoate
CID 20720120
(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 15206014
3,5-dimethyl-3,6-dihydro-2H-1,4-oxazin-2-one
CID 12373800
3,5-Dimethyl-4-oxido-2,3-dihydro-1,4-oxazin-4-ium-6-one
CID 15372190
(5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one
CID 45086570
3,5,5-Trimethyl-5,6-dihydro-2H-1,4-oxazin-2-one
CID 19910031
Ethyl 2-methyliminopropanoate
CID 20717755
Ethyl 2-(propan-2-ylideneamino)acetate
CID 21016696
2H-1,4-Oxazin-2-one, 5,6-dihydro-3-methyl-
CID 45086551
Ethyl 2-ethyliminopropanoate
CID 57041047
Ethyl 2-propan-2-yliminopropanoate
CID 86233640
Propyl 2-propyliminopropanoate
CID 91162033

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one (CID 131982819) is (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one is CC1=N[C@H](C)COC1=O.
What is the InChIKey of (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is LWDZEKDLMOCQMB-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-3-9-6(8)5(2)7-4/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one?
(3R)-3,5-dimethyl-2,3-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 (3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 131982819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).