3-propan-2-ylcyclopenta[c]pyrrole

C10H11N — CID 67439504

IUPAC3-propan-2-ylcyclopenta[c]pyrrole
SMILESCC(C)C1=NC=C2C=CC=C21
InChIInChI=1S/C10H11N/c1-7(2)10-9-5-3-4-8(9)6-11-10/h3-7H,1-2H3
InChIKeyXEIRPMIZASUDIY-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.48
Rot. Bonds1

About 3-propan-2-ylcyclopenta[c]pyrrole

3-propan-2-ylcyclopenta[c]pyrrole (PubChem CID 67439504) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-propan-2-ylcyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-propan-2-ylcyclopenta[c]pyrrole
PubChem CID67439504
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-propan-2-ylcyclopenta[c]pyrrole
SMILESCC(C)C1=NC=C2C=CC=C21
InChIInChI=1S/C10H11N/c1-7(2)10-9-5-3-4-8(9)6-11-10/h3-7H,1-2H3
InChIKeyXEIRPMIZASUDIY-UHFFFAOYSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylcyclopenta[c]pyrrole?
The IUPAC name of 3-propan-2-ylcyclopenta[c]pyrrole (CID 67439504) is 3-propan-2-ylcyclopenta[c]pyrrole.
What is the SMILES notation for 3-propan-2-ylcyclopenta[c]pyrrole?
The canonical SMILES for 3-propan-2-ylcyclopenta[c]pyrrole is CC(C)C1=NC=C2C=CC=C21.
What is the InChIKey of 3-propan-2-ylcyclopenta[c]pyrrole?
The InChIKey is XEIRPMIZASUDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-7(2)10-9-5-3-4-8(9)6-11-10/h3-7H,1-2H3.
What are the key properties of 3-propan-2-ylcyclopenta[c]pyrrole?
3-propan-2-ylcyclopenta[c]pyrrole has a molecular weight of 145.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylcyclopenta[c]pyrrole is sourced from PubChem (CID 67439504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).