2,4,5-tributylcyclopenta[b]pyrrole

C19H29N — CID 90701109

IUPAC2,4,5-tributylcyclopenta[b]pyrrole
SMILESCCCCC1=CC2=C(CCCC)C(CCCC)=CC2=N1
InChIInChI=1S/C19H29N/c1-4-7-10-15-13-19-18(17(15)12-9-6-3)14-16(20-19)11-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyTVOAKQOCUXVGCE-UHFFFAOYSA-N
MW271.45 g/mol
LogP6.13
Rot. Bonds9

About 2,4,5-tributylcyclopenta[b]pyrrole

2,4,5-tributylcyclopenta[b]pyrrole (PubChem CID 90701109) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2,4,5-tributylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name2,4,5-tributylcyclopenta[b]pyrrole
PubChem CID90701109
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2,4,5-tributylcyclopenta[b]pyrrole
SMILESCCCCC1=CC2=C(CCCC)C(CCCC)=CC2=N1
InChIInChI=1S/C19H29N/c1-4-7-10-15-13-19-18(17(15)12-9-6-3)14-16(20-19)11-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyTVOAKQOCUXVGCE-UHFFFAOYSA-N
XLogP6.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tributylcyclopenta[b]pyrrole?
The IUPAC name of 2,4,5-tributylcyclopenta[b]pyrrole (CID 90701109) is 2,4,5-tributylcyclopenta[b]pyrrole.
What is the SMILES notation for 2,4,5-tributylcyclopenta[b]pyrrole?
The canonical SMILES for 2,4,5-tributylcyclopenta[b]pyrrole is CCCCC1=CC2=C(CCCC)C(CCCC)=CC2=N1.
What is the InChIKey of 2,4,5-tributylcyclopenta[b]pyrrole?
The InChIKey is TVOAKQOCUXVGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-4-7-10-15-13-19-18(17(15)12-9-6-3)14-16(20-19)11-8-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of 2,4,5-tributylcyclopenta[b]pyrrole?
2,4,5-tributylcyclopenta[b]pyrrole has a molecular weight of 271.45 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tributylcyclopenta[b]pyrrole is sourced from PubChem (CID 90701109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).