3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole

C11H21N — CID 172524050

IUPAC3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole
SMILESCC(C)(C)C12CCCC1NCC2
InChIInChI=1S/C11H21N/c1-10(2,3)11-6-4-5-9(11)12-8-7-11/h9,12H,4-8H2,1-3H3
InChIKeyLYYBKRGKJUEHOO-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds

About 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole

3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole (PubChem CID 172524050) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole
PubChem CID172524050
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole
SMILESCC(C)(C)C12CCCC1NCC2
InChIInChI=1S/C11H21N/c1-10(2,3)11-6-4-5-9(11)12-8-7-11/h9,12H,4-8H2,1-3H3
InChIKeyLYYBKRGKJUEHOO-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole?
The IUPAC name of 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole (CID 172524050) is 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole.
What is the SMILES notation for 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole?
The canonical SMILES for 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole is CC(C)(C)C12CCCC1NCC2.
What is the InChIKey of 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole?
The InChIKey is LYYBKRGKJUEHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)11-6-4-5-9(11)12-8-7-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole?
3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole has a molecular weight of 167.30 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole is sourced from PubChem (CID 172524050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).