5-ethylcyclopenta[b]pyrrole

C9H9N — CID 22667455

IUPAC5-ethylcyclopenta[b]pyrrole
SMILESCCC1=CC2=CC=NC2=C1
InChIInChI=1S/C9H9N/c1-2-7-5-8-3-4-10-9(8)6-7/h3-6H,2H2,1H3
InChIKeyITGSSTPVNBPVJJ-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.23
Rot. Bonds1

About 5-ethylcyclopenta[b]pyrrole

5-ethylcyclopenta[b]pyrrole (PubChem CID 22667455) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 5-ethylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name5-ethylcyclopenta[b]pyrrole
PubChem CID22667455
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name5-ethylcyclopenta[b]pyrrole
SMILESCCC1=CC2=CC=NC2=C1
InChIInChI=1S/C9H9N/c1-2-7-5-8-3-4-10-9(8)6-7/h3-6H,2H2,1H3
InChIKeyITGSSTPVNBPVJJ-UHFFFAOYSA-N
XLogP2.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethylcyclopenta[b]pyrrole?
The IUPAC name of 5-ethylcyclopenta[b]pyrrole (CID 22667455) is 5-ethylcyclopenta[b]pyrrole.
What is the SMILES notation for 5-ethylcyclopenta[b]pyrrole?
The canonical SMILES for 5-ethylcyclopenta[b]pyrrole is CCC1=CC2=CC=NC2=C1.
What is the InChIKey of 5-ethylcyclopenta[b]pyrrole?
The InChIKey is ITGSSTPVNBPVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-7-5-8-3-4-10-9(8)6-7/h3-6H,2H2,1H3.
What are the key properties of 5-ethylcyclopenta[b]pyrrole?
5-ethylcyclopenta[b]pyrrole has a molecular weight of 131.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylcyclopenta[b]pyrrole is sourced from PubChem (CID 22667455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).