(8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione

C13H13NO5 — CID 141395280

IUPAC(8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione
SMILESO=C1OC2[C@H](OCc3ccccc3)CCN2OC1=O
InChIInChI=1S/C13H13NO5/c15-12-13(16)19-14-7-6-10(11(14)18-12)17-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11?/m1/s1
InChIKeyJGSWWOBQOJXWEC-NFJWQWPMSA-N
MW263.25 g/mol
LogP0.62
Rot. Bonds3

About (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione

(8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione (PubChem CID 141395280) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione.

Molecular Properties

Compound Name(8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione
PubChem CID141395280
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione
SMILESO=C1OC2[C@H](OCc3ccccc3)CCN2OC1=O
InChIInChI=1S/C13H13NO5/c15-12-13(16)19-14-7-6-10(11(14)18-12)17-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11?/m1/s1
InChIKeyJGSWWOBQOJXWEC-NFJWQWPMSA-N
XLogP0.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione?
The IUPAC name of (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione (CID 141395280) is (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione.
What is the SMILES notation for (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione?
The canonical SMILES for (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione is O=C1OC2[C@H](OCc3ccccc3)CCN2OC1=O.
What is the InChIKey of (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione?
The InChIKey is JGSWWOBQOJXWEC-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H13NO5/c15-12-13(16)19-14-7-6-10(11(14)18-12)17-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11?/m1/s1.
What are the key properties of (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione?
(8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione has a molecular weight of 263.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-b][1,4,2]dioxazine-2,3-dione is sourced from PubChem (CID 141395280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).