3-butyl-5-methyl-1,3-oxazinane-2,4-dione

C9H15NO3 — CID 154544543

IUPAC3-butyl-5-methyl-1,3-oxazinane-2,4-dione
SMILESCCCCN1C(=O)OCC(C)C1=O
InChIInChI=1S/C9H15NO3/c1-3-4-5-10-8(11)7(2)6-13-9(10)12/h7H,3-6H2,1-2H3
InChIKeyQGWICHGXHXEFTR-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.40
Rot. Bonds3

About 3-butyl-5-methyl-1,3-oxazinane-2,4-dione

3-butyl-5-methyl-1,3-oxazinane-2,4-dione (PubChem CID 154544543) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-butyl-5-methyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name3-butyl-5-methyl-1,3-oxazinane-2,4-dione
PubChem CID154544543
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-butyl-5-methyl-1,3-oxazinane-2,4-dione
SMILESCCCCN1C(=O)OCC(C)C1=O
InChIInChI=1S/C9H15NO3/c1-3-4-5-10-8(11)7(2)6-13-9(10)12/h7H,3-6H2,1-2H3
InChIKeyQGWICHGXHXEFTR-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10214537, Example 157
CID 58799736
3-Ethyl-1,3-oxazinan-4-one
CID 15561478
3-Propanoyl-1,3-oxazinan-2-one
CID 18325722
3-Acetyl-1,3-oxazinan-2-one
CID 18702573
2-Methyl-1-(1,3-oxazinan-3-yl)propan-1-one
CID 20671664
3-Propan-2-yl-1,3-oxazinane-2,4-dione
CID 20785818
5,5-Dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione
CID 58799694
3-(2-Methylpropyl)-1,3-oxazinane-2,4-dione
CID 58799719
6,6-Dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione
CID 58799795
3-Methyl-1,3-oxazinane-2,4-dione
CID 70253104
3-Ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione
CID 89228585
3-Ethyl-5,5-dimethyl-1,3-oxazinane-2,4-dione
CID 89365389

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 3-butyl-5-methyl-1,3-oxazinane-2,4-dione (CID 154544543) is 3-butyl-5-methyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 3-butyl-5-methyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 3-butyl-5-methyl-1,3-oxazinane-2,4-dione is CCCCN1C(=O)OCC(C)C1=O.
What is the InChIKey of 3-butyl-5-methyl-1,3-oxazinane-2,4-dione?
The InChIKey is QGWICHGXHXEFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-4-5-10-8(11)7(2)6-13-9(10)12/h7H,3-6H2,1-2H3.
What are the key properties of 3-butyl-5-methyl-1,3-oxazinane-2,4-dione?
3-butyl-5-methyl-1,3-oxazinane-2,4-dione has a molecular weight of 185.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 154544543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).