3-(2-methylpropyl)-1,3-oxazinane-2,4-dione

C8H13NO3 — CID 58799719

IUPAC3-(2-methylpropyl)-1,3-oxazinane-2,4-dione
SMILESCC(C)CN1C(=O)CCOC1=O
InChIInChI=1S/C8H13NO3/c1-6(2)5-9-7(10)3-4-12-8(9)11/h6H,3-5H2,1-2H3
InChIKeyWRYFXSPGCUFTGA-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.01
Rot. Bonds2

About 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione

3-(2-methylpropyl)-1,3-oxazinane-2,4-dione (PubChem CID 58799719) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,3-oxazinane-2,4-dione
PubChem CID58799719
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-(2-methylpropyl)-1,3-oxazinane-2,4-dione
SMILESCC(C)CN1C(=O)CCOC1=O
InChIInChI=1S/C8H13NO3/c1-6(2)5-9-7(10)3-4-12-8(9)11/h6H,3-5H2,1-2H3
InChIKeyWRYFXSPGCUFTGA-UHFFFAOYSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione?
The IUPAC name of 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione (CID 58799719) is 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione?
The canonical SMILES for 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione is CC(C)CN1C(=O)CCOC1=O.
What is the InChIKey of 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione?
The InChIKey is WRYFXSPGCUFTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(2)5-9-7(10)3-4-12-8(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione?
3-(2-methylpropyl)-1,3-oxazinane-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 58799719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).