3,4,5,6-tetrahydrocyclopenta[b]pyrrole

C7H9N — CID 58458792

IUPAC3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESC1=NC2=C(C1)CCC2
InChIInChI=1S/C7H9N/c1-2-6-4-5-8-7(6)3-1/h5H,1-4H2
InChIKeyAKOGYPPTRMMFIE-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.90
Rot. Bonds

About 3,4,5,6-tetrahydrocyclopenta[b]pyrrole

3,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 58458792) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 3,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name3,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID58458792
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESC1=NC2=C(C1)CCC2
InChIInChI=1S/C7H9N/c1-2-6-4-5-8-7(6)3-1/h5H,1-4H2
InChIKeyAKOGYPPTRMMFIE-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 3,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 58458792) is 3,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 3,4,5,6-tetrahydrocyclopenta[b]pyrrole is C1=NC2=C(C1)CCC2.
What is the InChIKey of 3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is AKOGYPPTRMMFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-6-4-5-8-7(6)3-1/h5H,1-4H2.
What are the key properties of 3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
3,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 107.16 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 58458792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).