5-methyl-2,3-dihydrocyclopenta[b]pyrrole

C8H9N — CID 70013175

IUPAC5-methyl-2,3-dihydrocyclopenta[b]pyrrole
SMILESCC1=CC2=NCCC2=C1
InChIInChI=1S/C8H9N/c1-6-4-7-2-3-9-8(7)5-6/h4-5H,2-3H2,1H3
InChIKeyDJYRPVSZSFRNCQ-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.72
Rot. Bonds

About 5-methyl-2,3-dihydrocyclopenta[b]pyrrole

5-methyl-2,3-dihydrocyclopenta[b]pyrrole (PubChem CID 70013175) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 5-methyl-2,3-dihydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name5-methyl-2,3-dihydrocyclopenta[b]pyrrole
PubChem CID70013175
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name5-methyl-2,3-dihydrocyclopenta[b]pyrrole
SMILESCC1=CC2=NCCC2=C1
InChIInChI=1S/C8H9N/c1-6-4-7-2-3-9-8(7)5-6/h4-5H,2-3H2,1H3
InChIKeyDJYRPVSZSFRNCQ-UHFFFAOYSA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-2,3-dihydrocyclopenta[b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydrocyclopenta[b]pyrrole?
The IUPAC name of 5-methyl-2,3-dihydrocyclopenta[b]pyrrole (CID 70013175) is 5-methyl-2,3-dihydrocyclopenta[b]pyrrole.
What is the SMILES notation for 5-methyl-2,3-dihydrocyclopenta[b]pyrrole?
The canonical SMILES for 5-methyl-2,3-dihydrocyclopenta[b]pyrrole is CC1=CC2=NCCC2=C1.
What is the InChIKey of 5-methyl-2,3-dihydrocyclopenta[b]pyrrole?
The InChIKey is DJYRPVSZSFRNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-6-4-7-2-3-9-8(7)5-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-methyl-2,3-dihydrocyclopenta[b]pyrrole?
5-methyl-2,3-dihydrocyclopenta[b]pyrrole has a molecular weight of 119.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydrocyclopenta[b]pyrrole is sourced from PubChem (CID 70013175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).