2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole

C6H11NO — CID 14195930

IUPAC2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
SMILESC1CC2OCCN2C1
InChIInChI=1S/C6H11NO/c1-2-6-7(3-1)4-5-8-6/h6H,1-5H2
InChIKeyRRQLLPCYRAISML-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.44
Rot. Bonds

About 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole

2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole (PubChem CID 14195930) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
PubChem CID14195930
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
SMILESC1CC2OCCN2C1
InChIInChI=1S/C6H11NO/c1-2-6-7(3-1)4-5-8-6/h6H,1-5H2
InChIKeyRRQLLPCYRAISML-UHFFFAOYSA-N
XLogP0.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
The IUPAC name of 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole (CID 14195930) is 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
The canonical SMILES for 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole is C1CC2OCCN2C1.
What is the InChIKey of 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
The InChIKey is RRQLLPCYRAISML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-6-7(3-1)4-5-8-6/h6H,1-5H2.
What are the key properties of 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole?
2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole has a molecular weight of 113.16 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole is sourced from PubChem (CID 14195930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).