3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

C13H17N — CID 23008733

IUPAC3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESc1ccc(C2CNC3CCCC32)cc1
InChIInChI=1S/C13H17N/c1-2-5-10(6-3-1)12-9-14-13-8-4-7-11(12)13/h1-3,5-6,11-14H,4,7-9H2
InChIKeyANUWJZVDTUHQRB-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.54
Rot. Bonds1

About 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (PubChem CID 23008733) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
PubChem CID23008733
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESc1ccc(C2CNC3CCCC32)cc1
InChIInChI=1S/C13H17N/c1-2-5-10(6-3-1)12-9-14-13-8-4-7-11(12)13/h1-3,5-6,11-14H,4,7-9H2
InChIKeyANUWJZVDTUHQRB-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The IUPAC name of 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (CID 23008733) is 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The canonical SMILES for 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is c1ccc(C2CNC3CCCC32)cc1.
What is the InChIKey of 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The InChIKey is ANUWJZVDTUHQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-5-10(6-3-1)12-9-14-13-8-4-7-11(12)13/h1-3,5-6,11-14H,4,7-9H2.
What are the key properties of 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole has a molecular weight of 187.29 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 23008733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).