5-cyclopropyl-1,4,2-dioxazinan-3-one

C6H9NO3 — CID 105428423

IUPAC5-cyclopropyl-1,4,2-dioxazinan-3-one
SMILESO=C1NOCC(C2CC2)O1
InChIInChI=1S/C6H9NO3/c8-6-7-9-3-5(10-6)4-1-2-4/h4-5H,1-3H2,(H,7,8)
InChIKeyCAUPGHPQFWZYJB-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.44
Rot. Bonds1

About 5-cyclopropyl-1,4,2-dioxazinan-3-one

5-cyclopropyl-1,4,2-dioxazinan-3-one (PubChem CID 105428423) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 5-cyclopropyl-1,4,2-dioxazinan-3-one.

Molecular Properties

Compound Name5-cyclopropyl-1,4,2-dioxazinan-3-one
PubChem CID105428423
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name5-cyclopropyl-1,4,2-dioxazinan-3-one
SMILESO=C1NOCC(C2CC2)O1
InChIInChI=1S/C6H9NO3/c8-6-7-9-3-5(10-6)4-1-2-4/h4-5H,1-3H2,(H,7,8)
InChIKeyCAUPGHPQFWZYJB-UHFFFAOYSA-N
XLogP0.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,4,2-dioxazinan-3-one?
The IUPAC name of 5-cyclopropyl-1,4,2-dioxazinan-3-one (CID 105428423) is 5-cyclopropyl-1,4,2-dioxazinan-3-one.
What is the SMILES notation for 5-cyclopropyl-1,4,2-dioxazinan-3-one?
The canonical SMILES for 5-cyclopropyl-1,4,2-dioxazinan-3-one is O=C1NOCC(C2CC2)O1.
What is the InChIKey of 5-cyclopropyl-1,4,2-dioxazinan-3-one?
The InChIKey is CAUPGHPQFWZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-6-7-9-3-5(10-6)4-1-2-4/h4-5H,1-3H2,(H,7,8).
What are the key properties of 5-cyclopropyl-1,4,2-dioxazinan-3-one?
5-cyclopropyl-1,4,2-dioxazinan-3-one has a molecular weight of 143.14 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,4,2-dioxazinan-3-one is sourced from PubChem (CID 105428423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).