2,2-dimethyl-1,3-oxazinane-4,6-dione

C6H9NO3 — CID 154006806

IUPAC2,2-dimethyl-1,3-oxazinane-4,6-dione
SMILESCC1(C)NC(=O)CC(=O)O1
InChIInChI=1S/C6H9NO3/c1-6(2)7-4(8)3-5(9)10-6/h3H2,1-2H3,(H,7,8)
InChIKeyODCJAVCSVNOBGS-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.21
Rot. Bonds

About 2,2-dimethyl-1,3-oxazinane-4,6-dione

2,2-dimethyl-1,3-oxazinane-4,6-dione (PubChem CID 154006806) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-oxazinane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-1,3-oxazinane-4,6-dione
PubChem CID154006806
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2,2-dimethyl-1,3-oxazinane-4,6-dione
SMILESCC1(C)NC(=O)CC(=O)O1
InChIInChI=1S/C6H9NO3/c1-6(2)7-4(8)3-5(9)10-6/h3H2,1-2H3,(H,7,8)
InChIKeyODCJAVCSVNOBGS-UHFFFAOYSA-N
XLogP-0.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-oxazinane-4,6-dione?
The IUPAC name of 2,2-dimethyl-1,3-oxazinane-4,6-dione (CID 154006806) is 2,2-dimethyl-1,3-oxazinane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-1,3-oxazinane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-1,3-oxazinane-4,6-dione is CC1(C)NC(=O)CC(=O)O1.
What is the InChIKey of 2,2-dimethyl-1,3-oxazinane-4,6-dione?
The InChIKey is ODCJAVCSVNOBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-6(2)7-4(8)3-5(9)10-6/h3H2,1-2H3,(H,7,8).
What are the key properties of 2,2-dimethyl-1,3-oxazinane-4,6-dione?
2,2-dimethyl-1,3-oxazinane-4,6-dione has a molecular weight of 143.14 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-oxazinane-4,6-dione is sourced from PubChem (CID 154006806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).