3,4-dibutylcyclopenta[b]pyrrole

C15H21N — CID 21095325

IUPAC3,4-dibutylcyclopenta[b]pyrrole
SMILESCCCCC1=CC=C2N=CC(CCCC)=C12
InChIInChI=1S/C15H21N/c1-3-5-7-12-9-10-14-15(12)13(11-16-14)8-6-4-2/h9-11H,3-8H2,1-2H3
InChIKeyCQXLURKHCASTEV-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.57
Rot. Bonds6

About 3,4-dibutylcyclopenta[b]pyrrole

3,4-dibutylcyclopenta[b]pyrrole (PubChem CID 21095325) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3,4-dibutylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name3,4-dibutylcyclopenta[b]pyrrole
PubChem CID21095325
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3,4-dibutylcyclopenta[b]pyrrole
SMILESCCCCC1=CC=C2N=CC(CCCC)=C12
InChIInChI=1S/C15H21N/c1-3-5-7-12-9-10-14-15(12)13(11-16-14)8-6-4-2/h9-11H,3-8H2,1-2H3
InChIKeyCQXLURKHCASTEV-UHFFFAOYSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibutylcyclopenta[b]pyrrole?
The IUPAC name of 3,4-dibutylcyclopenta[b]pyrrole (CID 21095325) is 3,4-dibutylcyclopenta[b]pyrrole.
What is the SMILES notation for 3,4-dibutylcyclopenta[b]pyrrole?
The canonical SMILES for 3,4-dibutylcyclopenta[b]pyrrole is CCCCC1=CC=C2N=CC(CCCC)=C12.
What is the InChIKey of 3,4-dibutylcyclopenta[b]pyrrole?
The InChIKey is CQXLURKHCASTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-5-7-12-9-10-14-15(12)13(11-16-14)8-6-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 3,4-dibutylcyclopenta[b]pyrrole?
3,4-dibutylcyclopenta[b]pyrrole has a molecular weight of 215.34 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutylcyclopenta[b]pyrrole is sourced from PubChem (CID 21095325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).