(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C7H13N — CID 22809663

IUPAC(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1C[C@@H]2CNC[C@@H]2C1
InChIInChI=1S/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2/t6-,7+
InChIKeyUZHVXJZEHGSWQV-KNVOCYPGSA-N
MW111.19 g/mol
LogP1.01
Rot. Bonds

About (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 22809663) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID22809663
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1C[C@@H]2CNC[C@@H]2C1
InChIInChI=1S/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2/t6-,7+
InChIKeyUZHVXJZEHGSWQV-KNVOCYPGSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 22809663) is (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is C1C[C@@H]2CNC[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is UZHVXJZEHGSWQV-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2/t6-,7+.
What are the key properties of (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 22809663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).