1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole

C7H11N — CID 66924633

IUPAC1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESC1=C2CNCC2CC1
InChIInChI=1S/C7H11N/c1-2-6-4-8-5-7(6)3-1/h2,7-8H,1,3-5H2
InChIKeyOARHBHCOPBHQDY-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.93
Rot. Bonds

About 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole

1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 66924633) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID66924633
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESC1=C2CNCC2CC1
InChIInChI=1S/C7H11N/c1-2-6-4-8-5-7(6)3-1/h2,7-8H,1,3-5H2
InChIKeyOARHBHCOPBHQDY-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole (CID 66924633) is 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole is C1=C2CNCC2CC1.
What is the InChIKey of 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is OARHBHCOPBHQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-6-4-8-5-7(6)3-1/h2,7-8H,1,3-5H2.
What are the key properties of 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole?
1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 109.17 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 66924633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).