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

C6H11NO — CID 59165013

IUPAC1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
SMILESC1CC2COCN2C1
InChIInChI=1S/C6H11NO/c1-2-6-4-8-5-7(6)3-1/h6H,1-5H2
InChIKeyZSBBPZQTWOPHRB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.44
Rot. Bonds

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

1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole (PubChem CID 59165013) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole.

Molecular Properties

Compound Name1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
PubChem CID59165013
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
SMILESC1CC2COCN2C1
InChIInChI=1S/C6H11NO/c1-2-6-4-8-5-7(6)3-1/h6H,1-5H2
InChIKeyZSBBPZQTWOPHRB-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 1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The IUPAC name of 1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole (CID 59165013) is 1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole.
What is the SMILES notation for 1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The canonical SMILES for 1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole is C1CC2COCN2C1.
What is the InChIKey of 1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The InChIKey is ZSBBPZQTWOPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-6-4-8-5-7(6)3-1/h6H,1-5H2.
What are the key properties of 1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][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 1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole is sourced from PubChem (CID 59165013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).