3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione

C9H15NO3 — CID 11971074

IUPAC3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione
SMILESCCCC1(C)COC(=O)N(C)C1=O
InChIInChI=1S/C9H15NO3/c1-4-5-9(2)6-13-8(12)10(3)7(9)11/h4-6H2,1-3H3
InChIKeySTTOVGOOTSKACO-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.40
Rot. Bonds2

About 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione

3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione (PubChem CID 11971074) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione
PubChem CID11971074
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione
SMILESCCCC1(C)COC(=O)N(C)C1=O
InChIInChI=1S/C9H15NO3/c1-4-5-9(2)6-13-8(12)10(3)7(9)11/h4-6H2,1-3H3
InChIKeySTTOVGOOTSKACO-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione (CID 11971074) is 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione is CCCC1(C)COC(=O)N(C)C1=O.
What is the InChIKey of 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione?
The InChIKey is STTOVGOOTSKACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-9(2)6-13-8(12)10(3)7(9)11/h4-6H2,1-3H3.
What are the key properties of 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione?
3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione has a molecular weight of 185.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 11971074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).