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

C15H19Cl2N — CID 149171555

IUPAC3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCN1CC2CCCC2(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N/c1-18-9-12-3-2-6-15(12,10-18)8-11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3
InChIKeyWZDULLPRZXOYHA-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.27
Rot. Bonds2

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

3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 149171555) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID149171555
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCN1CC2CCCC2(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N/c1-18-9-12-3-2-6-15(12,10-18)8-11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3
InChIKeyWZDULLPRZXOYHA-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole (CID 149171555) is 3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole is CN1CC2CCCC2(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is WZDULLPRZXOYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-18-9-12-3-2-6-15(12,10-18)8-11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-10H2,1H3.
What are the key properties of 3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 284.23 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-[(3,4-dichlorophenyl)methyl]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 149171555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).