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

C6H9NO2 — CID 134526764

IUPAC2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC1=NC(C)CC(=O)O1
InChIInChI=1S/C6H9NO2/c1-4-3-6(8)9-5(2)7-4/h4H,3H2,1-2H3
InChIKeyFTXMYMCSKVGPNE-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.74
Rot. Bonds

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

2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 134526764) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID134526764
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC1=NC(C)CC(=O)O1
InChIInChI=1S/C6H9NO2/c1-4-3-6(8)9-5(2)7-4/h4H,3H2,1-2H3
InChIKeyFTXMYMCSKVGPNE-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-propan-2-ylideneoxan-2-one
CID 19982752
2-methyl-1,3-oxazine-4,6-dione
CID 58133366
4-[tert-butyl(dimethyl)silyl]oxane-2,6-dione
CID 87591098
(4S)-4-methyloxolan-2-one
CID 11115993
(4R)-4-methyloxolan-2-one
CID 5325910
4-methyloxetan-2-one;oxetan-2-one
CID 22715627
5-methyl-4a,5,9,9a-tetrahydro-4H-pyrano[3,4-d]oxepine-1,3,6,8-tetrone
CID 146186634
7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one
CID 15517821
3-tert-butyloxolane-2,5-dione
CID 10820811
(7R)-7-methyl-1,4-dioxepane-2,5-dione
CID 102007605
(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one
CID 10856412
3-(3-methylphenyl)oxolane-2,5-dione
CID 71683747

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of 2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one (CID 134526764) is 2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for 2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for 2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one is CC1=NC(C)CC(=O)O1.
What is the InChIKey of 2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is FTXMYMCSKVGPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-3-6(8)9-5(2)7-4/h4H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one?
2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 127.14 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 134526764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).