2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole

C16H19N — CID 122229029

IUPAC2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole
SMILESCC(C)n1c(-c2ccccc2)cc2c1CCC2
InChIInChI=1S/C16H19N/c1-12(2)17-15-10-6-9-14(15)11-16(17)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeySSPSYMJTQPDGMZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.22
Rot. Bonds2

About 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole

2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole (PubChem CID 122229029) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole
PubChem CID122229029
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole
SMILESCC(C)n1c(-c2ccccc2)cc2c1CCC2
InChIInChI=1S/C16H19N/c1-12(2)17-15-10-6-9-14(15)11-16(17)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeySSPSYMJTQPDGMZ-UHFFFAOYSA-N
XLogP4.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The IUPAC name of 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole (CID 122229029) is 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole.
What is the SMILES notation for 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The canonical SMILES for 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole is CC(C)n1c(-c2ccccc2)cc2c1CCC2.
What is the InChIKey of 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The InChIKey is SSPSYMJTQPDGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12(2)17-15-10-6-9-14(15)11-16(17)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3.
What are the key properties of 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole has a molecular weight of 225.34 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]pyrrole is sourced from PubChem (CID 122229029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).