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

C20H23NO — CID 138806797

IUPAC(3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1C[C@@H]2CN(Cc3ccccc3-c3ccccc3)C[C@@H]2C1
InChIInChI=1S/C20H23NO/c22-19-10-17-13-21(14-18(17)11-19)12-16-8-4-5-9-20(16)15-6-2-1-3-7-15/h1-9,17-19,22H,10-14H2/t17-,18+,19?
InChIKeyRAPYOZNXLXQSIG-DFNIBXOVSA-N
MW293.41 g/mol
LogP3.56
Rot. Bonds3

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

(3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 138806797) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID138806797
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1C[C@@H]2CN(Cc3ccccc3-c3ccccc3)C[C@@H]2C1
InChIInChI=1S/C20H23NO/c22-19-10-17-13-21(14-18(17)11-19)12-16-8-4-5-9-20(16)15-6-2-1-3-7-15/h1-9,17-19,22H,10-14H2/t17-,18+,19?
InChIKeyRAPYOZNXLXQSIG-DFNIBXOVSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-phenylphenyl)methyl]azetidin-3-ol
CID 141021378
(3aR,6aS)-2-[(2,3-dichlorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138809540
(3aS,6aS)-5-[(2-phenylphenyl)methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
CID 164689589
(3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 110126404
(3aR,5S,6S,7aS)-2-[(2-methylsulfanylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 77091091
2-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-6-phenylphenol
CID 141340169
1-[2-hydroxy-3-(2-phenylphenyl)propyl]pyrrolidine-3,4-diol
CID 21396209
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95217230
2-[2-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 113314722
1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
CID 131137641

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 138806797) is (3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is OC1C[C@@H]2CN(Cc3ccccc3-c3ccccc3)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is RAPYOZNXLXQSIG-DFNIBXOVSA-N. The full InChI is InChI=1S/C20H23NO/c22-19-10-17-13-21(14-18(17)11-19)12-16-8-4-5-9-20(16)15-6-2-1-3-7-15/h1-9,17-19,22H,10-14H2/t17-,18+,19?.
What are the key properties of (3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
(3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 293.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[(2-phenylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 138806797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).