3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole

C13H17NO — CID 119030927

IUPAC3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
SMILESc1ccc(C2CNC3CCOCC32)cc1
InChIInChI=1S/C13H17NO/c1-2-4-10(5-3-1)11-8-14-13-6-7-15-9-12(11)13/h1-5,11-14H,6-9H2
InChIKeyWGGHLOAPDUROBO-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.78
Rot. Bonds1

About 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole

3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole (PubChem CID 119030927) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole.

Molecular Properties

Compound Name3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
PubChem CID119030927
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
SMILESc1ccc(C2CNC3CCOCC32)cc1
InChIInChI=1S/C13H17NO/c1-2-4-10(5-3-1)11-8-14-13-6-7-15-9-12(11)13/h1-5,11-14H,6-9H2
InChIKeyWGGHLOAPDUROBO-UHFFFAOYSA-N
XLogP1.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The IUPAC name of 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole (CID 119030927) is 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole.
What is the SMILES notation for 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The canonical SMILES for 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole is c1ccc(C2CNC3CCOCC32)cc1.
What is the InChIKey of 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The InChIKey is WGGHLOAPDUROBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-4-10(5-3-1)11-8-14-13-6-7-15-9-12(11)13/h1-5,11-14H,6-9H2.
What are the key properties of 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole has a molecular weight of 203.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole is sourced from PubChem (CID 119030927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).