5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole

C11H17N — CID 129061175

IUPAC5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
SMILESCC(C)(C)C1CC2=C(CN=C2)C1
InChIInChI=1S/C11H17N/c1-11(2,3)10-4-8-6-12-7-9(8)5-10/h6,10H,4-5,7H2,1-3H3
InChIKeyXRWIQEAORIUQRC-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds

About 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole

5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole (PubChem CID 129061175) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
PubChem CID129061175
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
SMILESCC(C)(C)C1CC2=C(CN=C2)C1
InChIInChI=1S/C11H17N/c1-11(2,3)10-4-8-6-12-7-9(8)5-10/h6,10H,4-5,7H2,1-3H3
InChIKeyXRWIQEAORIUQRC-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole (CID 129061175) is 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole is CC(C)(C)C1CC2=C(CN=C2)C1.
What is the InChIKey of 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole?
The InChIKey is XRWIQEAORIUQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2,3)10-4-8-6-12-7-9(8)5-10/h6,10H,4-5,7H2,1-3H3.
What are the key properties of 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole?
5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 129061175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).