3,4,5-tributylcyclopenta[b]pyrrole

C19H29N — CID 21095818

IUPAC3,4,5-tributylcyclopenta[b]pyrrole
SMILESCCCCC1=C(CCCC)C2=C(CCCC)C=NC2=C1
InChIInChI=1S/C19H29N/c1-4-7-10-15-13-18-19(17(15)12-9-6-3)16(14-20-18)11-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyBYRDRJRYTXHAQW-UHFFFAOYSA-N
MW271.45 g/mol
LogP6.13
Rot. Bonds9

About 3,4,5-tributylcyclopenta[b]pyrrole

3,4,5-tributylcyclopenta[b]pyrrole (PubChem CID 21095818) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3,4,5-tributylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name3,4,5-tributylcyclopenta[b]pyrrole
PubChem CID21095818
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3,4,5-tributylcyclopenta[b]pyrrole
SMILESCCCCC1=C(CCCC)C2=C(CCCC)C=NC2=C1
InChIInChI=1S/C19H29N/c1-4-7-10-15-13-18-19(17(15)12-9-6-3)16(14-20-18)11-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyBYRDRJRYTXHAQW-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 3,4,5-tributylcyclopenta[b]pyrrole?
The IUPAC name of 3,4,5-tributylcyclopenta[b]pyrrole (CID 21095818) is 3,4,5-tributylcyclopenta[b]pyrrole.
What is the SMILES notation for 3,4,5-tributylcyclopenta[b]pyrrole?
The canonical SMILES for 3,4,5-tributylcyclopenta[b]pyrrole is CCCCC1=C(CCCC)C2=C(CCCC)C=NC2=C1.
What is the InChIKey of 3,4,5-tributylcyclopenta[b]pyrrole?
The InChIKey is BYRDRJRYTXHAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-4-7-10-15-13-18-19(17(15)12-9-6-3)16(14-20-18)11-8-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of 3,4,5-tributylcyclopenta[b]pyrrole?
3,4,5-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 3,4,5-tributylcyclopenta[b]pyrrole is sourced from PubChem (CID 21095818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).