(3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol

C13H17NO — CID 14530216

IUPAC(3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
SMILESO[C@@]1(c2ccccc2)CC[C@@H]2CCN[C@@H]21
InChIInChI=1S/C13H17NO/c15-13(11-4-2-1-3-5-11)8-6-10-7-9-14-12(10)13/h1-5,10,12,14-15H,6-9H2/t10-,12+,13-/m1/s1
InChIKeyIVGUHXBIGAWELX-KGYLQXTDSA-N
MW203.29 g/mol
LogP1.65
Rot. Bonds1

About (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol

(3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol (PubChem CID 14530216) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol.

Molecular Properties

Compound Name(3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
PubChem CID14530216
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
SMILESO[C@@]1(c2ccccc2)CC[C@@H]2CCN[C@@H]21
InChIInChI=1S/C13H17NO/c15-13(11-4-2-1-3-5-11)8-6-10-7-9-14-12(10)13/h1-5,10,12,14-15H,6-9H2/t10-,12+,13-/m1/s1
InChIKeyIVGUHXBIGAWELX-KGYLQXTDSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol?
The IUPAC name of (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol (CID 14530216) is (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol.
What is the SMILES notation for (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol?
The canonical SMILES for (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol is O[C@@]1(c2ccccc2)CC[C@@H]2CCN[C@@H]21.
What is the InChIKey of (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol?
The InChIKey is IVGUHXBIGAWELX-KGYLQXTDSA-N. The full InChI is InChI=1S/C13H17NO/c15-13(11-4-2-1-3-5-11)8-6-10-7-9-14-12(10)13/h1-5,10,12,14-15H,6-9H2/t10-,12+,13-/m1/s1.
What are the key properties of (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol?
(3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol has a molecular weight of 203.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aS)-6-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol is sourced from PubChem (CID 14530216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).