2,4,5-tripropylcyclopenta[b]pyrrole

C16H23N — CID 91122587

IUPAC2,4,5-tripropylcyclopenta[b]pyrrole
SMILESCCCC1=CC2=C(CCC)C(CCC)=CC2=N1
InChIInChI=1S/C16H23N/c1-4-7-12-10-16-15(14(12)9-6-3)11-13(17-16)8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyLEQOGTCNBAXFAF-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.96
Rot. Bonds6

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

2,4,5-tripropylcyclopenta[b]pyrrole (PubChem CID 91122587) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2,4,5-tripropylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name2,4,5-tripropylcyclopenta[b]pyrrole
PubChem CID91122587
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2,4,5-tripropylcyclopenta[b]pyrrole
SMILESCCCC1=CC2=C(CCC)C(CCC)=CC2=N1
InChIInChI=1S/C16H23N/c1-4-7-12-10-16-15(14(12)9-6-3)11-13(17-16)8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyLEQOGTCNBAXFAF-UHFFFAOYSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tripropylcyclopenta[b]pyrrole?
The IUPAC name of 2,4,5-tripropylcyclopenta[b]pyrrole (CID 91122587) is 2,4,5-tripropylcyclopenta[b]pyrrole.
What is the SMILES notation for 2,4,5-tripropylcyclopenta[b]pyrrole?
The canonical SMILES for 2,4,5-tripropylcyclopenta[b]pyrrole is CCCC1=CC2=C(CCC)C(CCC)=CC2=N1.
What is the InChIKey of 2,4,5-tripropylcyclopenta[b]pyrrole?
The InChIKey is LEQOGTCNBAXFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-7-12-10-16-15(14(12)9-6-3)11-13(17-16)8-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 2,4,5-tripropylcyclopenta[b]pyrrole?
2,4,5-tripropylcyclopenta[b]pyrrole has a molecular weight of 229.37 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tripropylcyclopenta[b]pyrrole is sourced from PubChem (CID 91122587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).