1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine

C16H21N — CID 11085524

IUPAC1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine
SMILESc1ccc([C@@H]2[C@@H]3CCC[C@]23N2CCCC2)cc1
InChIInChI=1S/C16H21N/c1-2-7-13(8-3-1)15-14-9-6-10-16(14,15)17-11-4-5-12-17/h1-3,7-8,14-15H,4-6,9-12H2/t14-,15+,16+/m0/s1
InChIKeyZEKNCWBMRQXVHI-ARFHVFGLSA-N
MW227.35 g/mol
LogP3.42
Rot. Bonds2

About 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine

1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine (PubChem CID 11085524) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine
PubChem CID11085524
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine
SMILESc1ccc([C@@H]2[C@@H]3CCC[C@]23N2CCCC2)cc1
InChIInChI=1S/C16H21N/c1-2-7-13(8-3-1)15-14-9-6-10-16(14,15)17-11-4-5-12-17/h1-3,7-8,14-15H,4-6,9-12H2/t14-,15+,16+/m0/s1
InChIKeyZEKNCWBMRQXVHI-ARFHVFGLSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine 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

1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine
CID 11256011
4-phenyl-1-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43802845
1-(1,2-diphenylcyclopropyl)piperidine
CID 86177466
3-phenyl-3-piperidin-1-ylcyclohexan-1-ol
CID 524773
8a-methyl-2-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
CID 15744652
1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol
CID 141393277
7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride
CID 118728461
(1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile
CID 40823073
1-(4-phenylpiperidin-1-yl)azepane
CID 67304390
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
1-[(1S,4aS,8aR)-4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanone
CID 5338445
(1S,5S,7S,8S)-7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane
CID 56958056

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine?
The IUPAC name of 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine (CID 11085524) is 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine.
What is the SMILES notation for 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine?
The canonical SMILES for 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine is c1ccc([C@@H]2[C@@H]3CCC[C@]23N2CCCC2)cc1.
What is the InChIKey of 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine?
The InChIKey is ZEKNCWBMRQXVHI-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H21N/c1-2-7-13(8-3-1)15-14-9-6-10-16(14,15)17-11-4-5-12-17/h1-3,7-8,14-15H,4-6,9-12H2/t14-,15+,16+/m0/s1.
What are the key properties of 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine?
1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine has a molecular weight of 227.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine is sourced from PubChem (CID 11085524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).