3-propan-2-yl-1,3-oxazinane-2,4-dione

C7H11NO3 — CID 20785818

IUPAC3-propan-2-yl-1,3-oxazinane-2,4-dione
SMILESCC(C)N1C(=O)CCOC1=O
InChIInChI=1S/C7H11NO3/c1-5(2)8-6(9)3-4-11-7(8)10/h5H,3-4H2,1-2H3
InChIKeyAXWRJOSBESOSDE-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.76
Rot. Bonds1

About 3-propan-2-yl-1,3-oxazinane-2,4-dione

3-propan-2-yl-1,3-oxazinane-2,4-dione (PubChem CID 20785818) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-propan-2-yl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-1,3-oxazinane-2,4-dione
PubChem CID20785818
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-propan-2-yl-1,3-oxazinane-2,4-dione
SMILESCC(C)N1C(=O)CCOC1=O
InChIInChI=1S/C7H11NO3/c1-5(2)8-6(9)3-4-11-7(8)10/h5H,3-4H2,1-2H3
InChIKeyAXWRJOSBESOSDE-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,3-oxazinane-2,4-dione?
The IUPAC name of 3-propan-2-yl-1,3-oxazinane-2,4-dione (CID 20785818) is 3-propan-2-yl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 3-propan-2-yl-1,3-oxazinane-2,4-dione is CC(C)N1C(=O)CCOC1=O.
What is the InChIKey of 3-propan-2-yl-1,3-oxazinane-2,4-dione?
The InChIKey is AXWRJOSBESOSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(2)8-6(9)3-4-11-7(8)10/h5H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,3-oxazinane-2,4-dione?
3-propan-2-yl-1,3-oxazinane-2,4-dione has a molecular weight of 157.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 20785818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).