2-methyl-1,3-oxazine-4,6-dione

C5H5NO3 — CID 58133366

IUPAC2-methyl-1,3-oxazine-4,6-dione
SMILESCC1=NC(=O)CC(=O)O1
InChIInChI=1S/C5H5NO3/c1-3-6-4(7)2-5(8)9-3/h2H2,1H3
InChIKeyKLMJXILBYMKIIA-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.12
Rot. Bonds

About 2-methyl-1,3-oxazine-4,6-dione

2-methyl-1,3-oxazine-4,6-dione (PubChem CID 58133366) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-methyl-1,3-oxazine-4,6-dione.

Molecular Properties

Compound Name2-methyl-1,3-oxazine-4,6-dione
PubChem CID58133366
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name2-methyl-1,3-oxazine-4,6-dione
SMILESCC1=NC(=O)CC(=O)O1
InChIInChI=1S/C5H5NO3/c1-3-6-4(7)2-5(8)9-3/h2H2,1H3
InChIKeyKLMJXILBYMKIIA-UHFFFAOYSA-N
XLogP-0.12
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-trimethylsilylcyclohexane-1,3-dione
CID 71393140
2,4-dimethyl-4,5-dihydro-1,3-oxazin-6-one
CID 134526764
1,3,7-trioxecane-4,6,8,10-tetrone
CID 58502714
4,5,6,7-tetramethyl-3H-1-benzofuran-2-one
CID 595374
4,6-dimethyl-3H-pyridin-2-one
CID 58991507
4-methyl-5-propyl-3H-furan-2-one
CID 139957122
5,7-dimethyl-3H-1-benzofuran-2-one
CID 11819351
5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one
CID 90274794
(4Z)-4-(methoxymethylidene)-2-methyl-1,3-oxazol-5-one
CID 71502138
4-methyl-5-(2-methylpropyl)-3H-furan-2-one
CID 58496929
6,6,7,7,8,8-hexamethyl-1,5-dihydrocyclopenta[d]oxepine-2,4-dione
CID 639042
4-but-2-enylidene-2-methyl-1,3-oxazol-5-one
CID 59109513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxazine-4,6-dione?
The IUPAC name of 2-methyl-1,3-oxazine-4,6-dione (CID 58133366) is 2-methyl-1,3-oxazine-4,6-dione.
What is the SMILES notation for 2-methyl-1,3-oxazine-4,6-dione?
The canonical SMILES for 2-methyl-1,3-oxazine-4,6-dione is CC1=NC(=O)CC(=O)O1.
What is the InChIKey of 2-methyl-1,3-oxazine-4,6-dione?
The InChIKey is KLMJXILBYMKIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c1-3-6-4(7)2-5(8)9-3/h2H2,1H3.
What are the key properties of 2-methyl-1,3-oxazine-4,6-dione?
2-methyl-1,3-oxazine-4,6-dione has a molecular weight of 127.10 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxazine-4,6-dione is sourced from PubChem (CID 58133366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).