2-ethyl-3,4-dimethylcyclopenta[b]pyrrole

C11H13N — CID 70018656

IUPAC2-ethyl-3,4-dimethylcyclopenta[b]pyrrole
SMILESCCC1=NC2=CC=C(C)C2=C1C
InChIInChI=1S/C11H13N/c1-4-9-8(3)11-7(2)5-6-10(11)12-9/h5-6H,4H2,1-3H3
InChIKeyMVSLJFLUBRENMK-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.01
Rot. Bonds1

About 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole

2-ethyl-3,4-dimethylcyclopenta[b]pyrrole (PubChem CID 70018656) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-ethyl-3,4-dimethylcyclopenta[b]pyrrole
PubChem CID70018656
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-ethyl-3,4-dimethylcyclopenta[b]pyrrole
SMILESCCC1=NC2=CC=C(C)C2=C1C
InChIInChI=1S/C11H13N/c1-4-9-8(3)11-7(2)5-6-10(11)12-9/h5-6H,4H2,1-3H3
InChIKeyMVSLJFLUBRENMK-UHFFFAOYSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole?
The IUPAC name of 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole (CID 70018656) is 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole.
What is the SMILES notation for 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole?
The canonical SMILES for 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole is CCC1=NC2=CC=C(C)C2=C1C.
What is the InChIKey of 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole?
The InChIKey is MVSLJFLUBRENMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-4-9-8(3)11-7(2)5-6-10(11)12-9/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole?
2-ethyl-3,4-dimethylcyclopenta[b]pyrrole has a molecular weight of 159.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dimethylcyclopenta[b]pyrrole is sourced from PubChem (CID 70018656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).