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

C13H17NO — CID 142546410

IUPAC(3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol
SMILESO[C@]12NCC[C@H]1CCC2c1ccccc1
InChIInChI=1S/C13H17NO/c15-13-11(8-9-14-13)6-7-12(13)10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12?,13-/m1/s1
InChIKeyYFFPWUNKTDMUQE-LKOMHFJYSA-N
MW203.29 g/mol
LogP1.86
Rot. Bonds1

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

(3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol (PubChem CID 142546410) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol.

Molecular Properties

Compound Name(3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol
PubChem CID142546410
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol
SMILESO[C@]12NCC[C@H]1CCC2c1ccccc1
InChIInChI=1S/C13H17NO/c15-13-11(8-9-14-13)6-7-12(13)10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12?,13-/m1/s1
InChIKeyYFFPWUNKTDMUQE-LKOMHFJYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-2,2-dimethyl-3-phenylpyrrolidine
CID 94411574
(5S,6S)-6-phenyl-1-azaspiro[4.5]decane
CID 97356341
2-methyl-4-phenylpiperidine-2-carboxylic acid
CID 117258341
1-(2-phenylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 175962856
(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
trans-(1R,2R)-1-ethynyl-2-phenylcyclobutan-1-ol
CID 11958011
6-phenyl-1,9-diazaspiro[4.5]decane
CID 91595107
(1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol
CID 92855941
(1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol
CID 69433064

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol?
The IUPAC name of (3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol (CID 142546410) is (3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol.
What is the SMILES notation for (3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol?
The canonical SMILES for (3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol is O[C@]12NCC[C@H]1CCC2c1ccccc1.
What is the InChIKey of (3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol?
The InChIKey is YFFPWUNKTDMUQE-LKOMHFJYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-11(8-9-14-13)6-7-12(13)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,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol?
(3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol has a molecular weight of 203.29 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol is sourced from PubChem (CID 142546410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).