2,4,5,6-tetrahydrocyclopenta[b]pyrrole

C7H9N — CID 58126661

IUPAC2,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESC1=C2CCCC2=NC1
InChIInChI=1S/C7H9N/c1-2-6-4-5-8-7(6)3-1/h4H,1-3,5H2
InChIKeyUUYBXAUXIYMCMS-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.55
Rot. Bonds

About 2,4,5,6-tetrahydrocyclopenta[b]pyrrole

2,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 58126661) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 2,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID58126661
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name2,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESC1=C2CCCC2=NC1
InChIInChI=1S/C7H9N/c1-2-6-4-5-8-7(6)3-1/h4H,1-3,5H2
InChIKeyUUYBXAUXIYMCMS-UHFFFAOYSA-N
XLogP1.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 2,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 58126661) is 2,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 2,4,5,6-tetrahydrocyclopenta[b]pyrrole is C1=C2CCCC2=NC1.
What is the InChIKey of 2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is UUYBXAUXIYMCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-6-4-5-8-7(6)3-1/h4H,1-3,5H2.
What are the key properties of 2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
2,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 107.16 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 58126661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).