5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol

C14H19NO — CID 563076

IUPAC5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
SMILESOC1C(Cc2ccccc2)CC2CCNC21
InChIInChI=1S/C14H19NO/c16-14-12(8-10-4-2-1-3-5-10)9-11-6-7-15-13(11)14/h1-5,11-16H,6-9H2
InChIKeyBCDDIELWDUPTGL-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.59
Rot. Bonds2

About 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol

5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol (PubChem CID 563076) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol.

Molecular Properties

Compound Name5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
PubChem CID563076
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
SMILESOC1C(Cc2ccccc2)CC2CCNC21
InChIInChI=1S/C14H19NO/c16-14-12(8-10-4-2-1-3-5-10)9-11-6-7-15-13(11)14/h1-5,11-16H,6-9H2
InChIKeyBCDDIELWDUPTGL-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The IUPAC name of 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol (CID 563076) is 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol.
What is the SMILES notation for 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The canonical SMILES for 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol is OC1C(Cc2ccccc2)CC2CCNC21.
What is the InChIKey of 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The InChIKey is BCDDIELWDUPTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-12(8-10-4-2-1-3-5-10)9-11-6-7-15-13(11)14/h1-5,11-16H,6-9H2.
What are the key properties of 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol has a molecular weight of 217.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol is sourced from PubChem (CID 563076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).