1,2,3,6a-tetrahydrocyclopenta[c]pyrrole

C7H9N — CID 70052443

IUPAC1,2,3,6a-tetrahydrocyclopenta[c]pyrrole
SMILESC1=CC2CNCC2=C1
InChIInChI=1S/C7H9N/c1-2-6-4-8-5-7(6)3-1/h1-3,6,8H,4-5H2
InChIKeyQIYNNJKRWWBYCK-UHFFFAOYSA-N
MW107.16 g/mol
LogP0.70
Rot. Bonds

About 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole

1,2,3,6a-tetrahydrocyclopenta[c]pyrrole (PubChem CID 70052443) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name1,2,3,6a-tetrahydrocyclopenta[c]pyrrole
PubChem CID70052443
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name1,2,3,6a-tetrahydrocyclopenta[c]pyrrole
SMILESC1=CC2CNCC2=C1
InChIInChI=1S/C7H9N/c1-2-6-4-8-5-7(6)3-1/h1-3,6,8H,4-5H2
InChIKeyQIYNNJKRWWBYCK-UHFFFAOYSA-N
XLogP0.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole?
The IUPAC name of 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole (CID 70052443) is 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole?
The canonical SMILES for 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole is C1=CC2CNCC2=C1.
What is the InChIKey of 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole?
The InChIKey is QIYNNJKRWWBYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-6-4-8-5-7(6)3-1/h1-3,6,8H,4-5H2.
What are the key properties of 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole?
1,2,3,6a-tetrahydrocyclopenta[c]pyrrole has a molecular weight of 107.16 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6a-tetrahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 70052443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).