3,4-dibutylcyclopenta[c]pyrrole

C15H21N — CID 21095329

IUPAC3,4-dibutylcyclopenta[c]pyrrole
SMILESCCCCC1=CC=C2C=NC(CCCC)=C21
InChIInChI=1S/C15H21N/c1-3-5-7-12-9-10-13-11-16-14(15(12)13)8-6-4-2/h9-11H,3-8H2,1-2H3
InChIKeyAJNMUMHKJXBRQR-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.57
Rot. Bonds6

About 3,4-dibutylcyclopenta[c]pyrrole

3,4-dibutylcyclopenta[c]pyrrole (PubChem CID 21095329) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3,4-dibutylcyclopenta[c]pyrrole.

Molecular Properties

Compound Name3,4-dibutylcyclopenta[c]pyrrole
PubChem CID21095329
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3,4-dibutylcyclopenta[c]pyrrole
SMILESCCCCC1=CC=C2C=NC(CCCC)=C21
InChIInChI=1S/C15H21N/c1-3-5-7-12-9-10-13-11-16-14(15(12)13)8-6-4-2/h9-11H,3-8H2,1-2H3
InChIKeyAJNMUMHKJXBRQR-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[c]pyrrole?
The IUPAC name of 3,4-dibutylcyclopenta[c]pyrrole (CID 21095329) is 3,4-dibutylcyclopenta[c]pyrrole.
What is the SMILES notation for 3,4-dibutylcyclopenta[c]pyrrole?
The canonical SMILES for 3,4-dibutylcyclopenta[c]pyrrole is CCCCC1=CC=C2C=NC(CCCC)=C21.
What is the InChIKey of 3,4-dibutylcyclopenta[c]pyrrole?
The InChIKey is AJNMUMHKJXBRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-5-7-12-9-10-13-11-16-14(15(12)13)8-6-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 3,4-dibutylcyclopenta[c]pyrrole?
3,4-dibutylcyclopenta[c]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[c]pyrrole is sourced from PubChem (CID 21095329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).