(3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride

C13H16Cl3N — CID 56666282

IUPAC(3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
SMILESCl.Clc1ccc([C@@]23CCC[C@@H]2CNC3)cc1Cl
InChIInChI=1S/C13H15Cl2N.ClH/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13;/h3-4,6,10,16H,1-2,5,7-8H2;1H/t10-,13+;/m1./s1
InChIKeyKKDCMBQGPJRILI-HTKOBJQYSA-N
MW292.64 g/mol
LogP4.06
Rot. Bonds1

About (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride

(3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride (PubChem CID 56666282) has the molecular formula C13H16Cl3N and a molecular weight of 292.64 g/mol. Its IUPAC name is (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride.

Molecular Properties

Compound Name(3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
PubChem CID56666282
Molecular FormulaC13H16Cl3N
Molecular Weight292.64 g/mol
Exact Mass291.03
IUPAC Name(3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
SMILESCl.Clc1ccc([C@@]23CCC[C@@H]2CNC3)cc1Cl
InChIInChI=1S/C13H15Cl2N.ClH/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13;/h3-4,6,10,16H,1-2,5,7-8H2;1H/t10-,13+;/m1./s1
InChIKeyKKDCMBQGPJRILI-HTKOBJQYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride with MolForge

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Related Compounds

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CID 9795276
(1R,5S,6S)-1-(3,4-dichlorophenyl)-6-propyl-3-azabicyclo[3.1.0]hexane
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2-(3,4-Dichlorophenyl)-N-[2-(1-pyrrolidinyl)ethyl]ethanamine
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(1S,5R)-1-(3,4-Dichlorophenyl)-3-azabicyclo(3.1.0)hexane
CID 11637190
(1S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 16113210
Dov-21947;EB-1010
CID 24867041
1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
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(3aS,6aR)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 46235733
(3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 46701015
(3aS,6aR)-3a-(3,4-dichlorophenyl)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
The IUPAC name of (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride (CID 56666282) is (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride.
What is the SMILES notation for (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
The canonical SMILES for (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride is Cl.Clc1ccc([C@@]23CCC[C@@H]2CNC3)cc1Cl.
What is the InChIKey of (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
The InChIKey is KKDCMBQGPJRILI-HTKOBJQYSA-N. The full InChI is InChI=1S/C13H15Cl2N.ClH/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13;/h3-4,6,10,16H,1-2,5,7-8H2;1H/t10-,13+;/m1./s1.
What are the key properties of (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
(3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride has a molecular weight of 292.64 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride is sourced from PubChem (CID 56666282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).