spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one

C8H11NO4 — CID 78166493

IUPACspiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one
SMILESO=C1OCC2CC3(CN12)OCCO3
InChIInChI=1S/C8H11NO4/c10-7-9-5-8(12-1-2-13-8)3-6(9)4-11-7/h6H,1-5H2
InChIKeyXZODQXICZHTFEW-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.05
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one

spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one (PubChem CID 78166493) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one
PubChem CID78166493
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namespiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one
SMILESO=C1OCC2CC3(CN12)OCCO3
InChIInChI=1S/C8H11NO4/c10-7-9-5-8(12-1-2-13-8)3-6(9)4-11-7/h6H,1-5H2
InChIKeyXZODQXICZHTFEW-UHFFFAOYSA-N
XLogP-0.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one?
The IUPAC name of spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one (CID 78166493) is spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one is O=C1OCC2CC3(CN12)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one?
The InChIKey is XZODQXICZHTFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-7-9-5-8(12-1-2-13-8)3-6(9)4-11-7/h6H,1-5H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one?
spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one has a molecular weight of 185.18 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,6'-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole]-3'-one is sourced from PubChem (CID 78166493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).