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

C13H17NO — CID 56952061

IUPAC(3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESO[C@@H]1C[C@@H]2CNC[C@]2(c2ccccc2)C1
InChIInChI=1S/C13H17NO/c15-12-6-11-8-14-9-13(11,7-12)10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12-,13+/m1/s1
InChIKeyZVVOMXQDMYFAJN-UPJWGTAASA-N
MW203.29 g/mol
LogP1.30
Rot. Bonds1

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

(3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 56952061) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID56952061
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESO[C@@H]1C[C@@H]2CNC[C@]2(c2ccccc2)C1
InChIInChI=1S/C13H17NO/c15-12-6-11-8-14-9-13(11,7-12)10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12-,13+/m1/s1
InChIKeyZVVOMXQDMYFAJN-UPJWGTAASA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 56952061) is (3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is O[C@@H]1C[C@@H]2CNC[C@]2(c2ccccc2)C1.
What is the InChIKey of (3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is ZVVOMXQDMYFAJN-UPJWGTAASA-N. The full InChI is InChI=1S/C13H17NO/c15-12-6-11-8-14-9-13(11,7-12)10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12-,13+/m1/s1.
What are the key properties of (3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
(3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 203.29 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6aS)-3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 56952061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).