5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C13H15Cl2N — CID 155345646

IUPAC5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESClc1ccc(C2CC3CNCC3C2)cc1Cl
InChIInChI=1S/C13H15Cl2N/c14-12-2-1-8(5-13(12)15)9-3-10-6-16-7-11(10)4-9/h1-2,5,9-11,16H,3-4,6-7H2
InChIKeyAYWBSGXMSJALQD-UHFFFAOYSA-N
MW256.18 g/mol
LogP3.71
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 155345646) has the molecular formula C13H15Cl2N and a molecular weight of 256.18 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID155345646
Molecular FormulaC13H15Cl2N
Molecular Weight256.18 g/mol
Exact Mass255.06
IUPAC Name5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESClc1ccc(C2CC3CNCC3C2)cc1Cl
InChIInChI=1S/C13H15Cl2N/c14-12-2-1-8(5-13(12)15)9-3-10-6-16-7-11(10)4-9/h1-2,5,9-11,16H,3-4,6-7H2
InChIKeyAYWBSGXMSJALQD-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 155345646) is 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is Clc1ccc(C2CC3CNCC3C2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is AYWBSGXMSJALQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N/c14-12-2-1-8(5-13(12)15)9-3-10-6-16-7-11(10)4-9/h1-2,5,9-11,16H,3-4,6-7H2.
What are the key properties of 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 256.18 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 155345646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).