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

C16H19N — CID 10998697

IUPAC2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
SMILESCCCn1c(-c2ccccc2)cc2c1CCC2
InChIInChI=1S/C16H19N/c1-2-11-17-15-10-6-9-14(15)12-16(17)13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3
InChIKeyVWGNDEXSDXJQBL-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.05
Rot. Bonds3

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

2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole (PubChem CID 10998697) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
PubChem CID10998697
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
SMILESCCCn1c(-c2ccccc2)cc2c1CCC2
InChIInChI=1S/C16H19N/c1-2-11-17-15-10-6-9-14(15)12-16(17)13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3
InChIKeyVWGNDEXSDXJQBL-UHFFFAOYSA-N
XLogP4.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The IUPAC name of 2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole (CID 10998697) is 2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole.
What is the SMILES notation for 2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The canonical SMILES for 2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole is CCCn1c(-c2ccccc2)cc2c1CCC2.
What is the InChIKey of 2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The InChIKey is VWGNDEXSDXJQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-11-17-15-10-6-9-14(15)12-16(17)13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3.
What are the key properties of 2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole has a molecular weight of 225.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propyl-5,6-dihydro-4H-cyclopenta[b]pyrrole is sourced from PubChem (CID 10998697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).