methane;5-propan-2-yl-1,3-oxazinane-2,4-dione

C8H15NO3 — CID 158364746

IUPACmethane;5-propan-2-yl-1,3-oxazinane-2,4-dione
SMILESC.CC(C)C1COC(=O)NC1=O
InChIInChI=1S/C7H11NO3.CH4/c1-4(2)5-3-11-7(10)8-6(5)9;/h4-5H,3H2,1-2H3,(H,8,9,10);1H4
InChIKeyGTWYHGLXRIYMNY-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.16
Rot. Bonds1

About methane;5-propan-2-yl-1,3-oxazinane-2,4-dione

methane;5-propan-2-yl-1,3-oxazinane-2,4-dione (PubChem CID 158364746) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methane;5-propan-2-yl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Namemethane;5-propan-2-yl-1,3-oxazinane-2,4-dione
PubChem CID158364746
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethane;5-propan-2-yl-1,3-oxazinane-2,4-dione
SMILESC.CC(C)C1COC(=O)NC1=O
InChIInChI=1S/C7H11NO3.CH4/c1-4(2)5-3-11-7(10)8-6(5)9;/h4-5H,3H2,1-2H3,(H,8,9,10);1H4
InChIKeyGTWYHGLXRIYMNY-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;5-propan-2-yl-1,3-oxazinane-2,4-dione?
The IUPAC name of methane;5-propan-2-yl-1,3-oxazinane-2,4-dione (CID 158364746) is methane;5-propan-2-yl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for methane;5-propan-2-yl-1,3-oxazinane-2,4-dione?
The canonical SMILES for methane;5-propan-2-yl-1,3-oxazinane-2,4-dione is C.CC(C)C1COC(=O)NC1=O.
What is the InChIKey of methane;5-propan-2-yl-1,3-oxazinane-2,4-dione?
The InChIKey is GTWYHGLXRIYMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.CH4/c1-4(2)5-3-11-7(10)8-6(5)9;/h4-5H,3H2,1-2H3,(H,8,9,10);1H4.
What are the key properties of methane;5-propan-2-yl-1,3-oxazinane-2,4-dione?
methane;5-propan-2-yl-1,3-oxazinane-2,4-dione has a molecular weight of 173.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-propan-2-yl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 158364746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).