tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate

C12H15NO2 — CID 154225079

IUPACtert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C2C=CC=C21
InChIInChI=1S/C12H15NO2/c1-12(2,3)15-11(14)13-8-7-9-5-4-6-10(9)13/h4-7H,8H2,1-3H3
InChIKeyDZEHMWXOKGIDIY-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.62
Rot. Bonds

About tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate

tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate (PubChem CID 154225079) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate
PubChem CID154225079
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nametert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C2C=CC=C21
InChIInChI=1S/C12H15NO2/c1-12(2,3)15-11(14)13-8-7-9-5-4-6-10(9)13/h4-7H,8H2,1-3H3
InChIKeyDZEHMWXOKGIDIY-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate (CID 154225079) is tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate is CC(C)(C)OC(=O)N1CC=C2C=CC=C21.
What is the InChIKey of tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate?
The InChIKey is DZEHMWXOKGIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,3)15-11(14)13-8-7-9-5-4-6-10(9)13/h4-7H,8H2,1-3H3.
What are the key properties of tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate?
tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2H-cyclopenta[b]pyrrole-1-carboxylate is sourced from PubChem (CID 154225079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).