2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole

C11H17N — CID 153455708

IUPAC2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC(C)(C)C1=NC2=C(CCC2)C1
InChIInChI=1S/C11H17N/c1-11(2,3)10-7-8-5-4-6-9(8)12-10/h4-7H2,1-3H3
InChIKeyIIBSTTWYTABLQC-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.32
Rot. Bonds

About 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole

2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 153455708) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID153455708
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC(C)(C)C1=NC2=C(CCC2)C1
InChIInChI=1S/C11H17N/c1-11(2,3)10-7-8-5-4-6-9(8)12-10/h4-7H2,1-3H3
InChIKeyIIBSTTWYTABLQC-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
2-Methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 23558745
2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole
CID 58032103
4,5-ditert-butyl-2-methyl-3H-pyrrole
CID 59636879
15,16-Dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
CID 70828298
15-Ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
CID 70828426
3-Tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
CID 89639577
Ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 91101310
2-Propan-2-yl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 118532319
4-tert-butyl-2,5-dimethyl-3H-pyrrole
CID 129134131
2,5-Ditert-butyl-3,6-dihydropyrrolo[3,2-b]pyrrole
CID 134451247
ethane;N-[(1E)-2,5,5-trimethylcycloocten-1-yl]propan-2-imine
CID 141766711

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 153455708) is 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole is CC(C)(C)C1=NC2=C(CCC2)C1.
What is the InChIKey of 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is IIBSTTWYTABLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2,3)10-7-8-5-4-6-9(8)12-10/h4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 153455708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).