1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole

C7H11N — CID 67771076

IUPAC1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole
SMILESC1=C2NCCC2CC1
InChIInChI=1S/C7H11N/c1-2-6-4-5-8-7(6)3-1/h3,6,8H,1-2,4-5H2
InChIKeyMZXOCJCQKJUFLE-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.27
Rot. Bonds

About 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole

1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole (PubChem CID 67771076) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole
PubChem CID67771076
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole
SMILESC1=C2NCCC2CC1
InChIInChI=1S/C7H11N/c1-2-6-4-5-8-7(6)3-1/h3,6,8H,1-2,4-5H2
InChIKeyMZXOCJCQKJUFLE-UHFFFAOYSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole?
The IUPAC name of 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole (CID 67771076) is 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole?
The canonical SMILES for 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole is C1=C2NCCC2CC1.
What is the InChIKey of 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole?
The InChIKey is MZXOCJCQKJUFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-6-4-5-8-7(6)3-1/h3,6,8H,1-2,4-5H2.
What are the key properties of 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole?
1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 67771076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).