5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole

C15H19N — CID 123628458

IUPAC5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESCC12CNCC1C=C(Cc1ccccc1)C2
InChIInChI=1S/C15H19N/c1-15-9-13(8-14(15)10-16-11-15)7-12-5-3-2-4-6-12/h2-6,8,14,16H,7,9-11H2,1H3
InChIKeyOSCKYPPVIQGKCE-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.78
Rot. Bonds2

About 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole

5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole (PubChem CID 123628458) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole
PubChem CID123628458
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESCC12CNCC1C=C(Cc1ccccc1)C2
InChIInChI=1S/C15H19N/c1-15-9-13(8-14(15)10-16-11-15)7-12-5-3-2-4-6-12/h2-6,8,14,16H,7,9-11H2,1H3
InChIKeyOSCKYPPVIQGKCE-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole (CID 123628458) is 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole is CC12CNCC1C=C(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is OSCKYPPVIQGKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-15-9-13(8-14(15)10-16-11-15)7-12-5-3-2-4-6-12/h2-6,8,14,16H,7,9-11H2,1H3.
What are the key properties of 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 213.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3a-methyl-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 123628458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).