3-butylcyclopenta[b]pyrrole

C11H13N — CID 21095249

IUPAC3-butylcyclopenta[b]pyrrole
SMILESCCCCC1=C2C=CC=C2N=C1
InChIInChI=1S/C11H13N/c1-2-3-5-9-8-12-11-7-4-6-10(9)11/h4,6-8H,2-3,5H2,1H3
InChIKeyLNJFZTYOSXIWIY-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.01
Rot. Bonds3

About 3-butylcyclopenta[b]pyrrole

3-butylcyclopenta[b]pyrrole (PubChem CID 21095249) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-butylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name3-butylcyclopenta[b]pyrrole
PubChem CID21095249
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-butylcyclopenta[b]pyrrole
SMILESCCCCC1=C2C=CC=C2N=C1
InChIInChI=1S/C11H13N/c1-2-3-5-9-8-12-11-7-4-6-10(9)11/h4,6-8H,2-3,5H2,1H3
InChIKeyLNJFZTYOSXIWIY-UHFFFAOYSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butylcyclopenta[b]pyrrole?
The IUPAC name of 3-butylcyclopenta[b]pyrrole (CID 21095249) is 3-butylcyclopenta[b]pyrrole.
What is the SMILES notation for 3-butylcyclopenta[b]pyrrole?
The canonical SMILES for 3-butylcyclopenta[b]pyrrole is CCCCC1=C2C=CC=C2N=C1.
What is the InChIKey of 3-butylcyclopenta[b]pyrrole?
The InChIKey is LNJFZTYOSXIWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-3-5-9-8-12-11-7-4-6-10(9)11/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 3-butylcyclopenta[b]pyrrole?
3-butylcyclopenta[b]pyrrole has a molecular weight of 159.23 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylcyclopenta[b]pyrrole is sourced from PubChem (CID 21095249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).