2-propylcyclopenta[b]pyrrole

C10H11N — CID 90767705

IUPAC2-propylcyclopenta[b]pyrrole
SMILESCCCC1=NC2=CC=CC2=C1
InChIInChI=1S/C10H11N/c1-2-4-9-7-8-5-3-6-10(8)11-9/h3,5-7H,2,4H2,1H3
InChIKeyYJYSNEOSWWEHOM-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.62
Rot. Bonds2

About 2-propylcyclopenta[b]pyrrole

2-propylcyclopenta[b]pyrrole (PubChem CID 90767705) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-propylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-propylcyclopenta[b]pyrrole
PubChem CID90767705
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-propylcyclopenta[b]pyrrole
SMILESCCCC1=NC2=CC=CC2=C1
InChIInChI=1S/C10H11N/c1-2-4-9-7-8-5-3-6-10(8)11-9/h3,5-7H,2,4H2,1H3
InChIKeyYJYSNEOSWWEHOM-UHFFFAOYSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propylcyclopenta[b]pyrrole?
The IUPAC name of 2-propylcyclopenta[b]pyrrole (CID 90767705) is 2-propylcyclopenta[b]pyrrole.
What is the SMILES notation for 2-propylcyclopenta[b]pyrrole?
The canonical SMILES for 2-propylcyclopenta[b]pyrrole is CCCC1=NC2=CC=CC2=C1.
What is the InChIKey of 2-propylcyclopenta[b]pyrrole?
The InChIKey is YJYSNEOSWWEHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-4-9-7-8-5-3-6-10(8)11-9/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-propylcyclopenta[b]pyrrole?
2-propylcyclopenta[b]pyrrole has a molecular weight of 145.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylcyclopenta[b]pyrrole is sourced from PubChem (CID 90767705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).