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

C8H11N — CID 23558745

IUPAC2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC1=NC2=C(CCC2)C1
InChIInChI=1S/C8H11N/c1-6-5-7-3-2-4-8(7)9-6/h2-5H2,1H3
InChIKeyGZVNXLAAYXRCIR-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.29
Rot. Bonds

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

2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 23558745) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID23558745
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC1=NC2=C(CCC2)C1
InChIInChI=1S/C8H11N/c1-6-5-7-3-2-4-8(7)9-6/h2-5H2,1H3
InChIKeyGZVNXLAAYXRCIR-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-3,4,5,6-tetrahydrocyclopenta[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 2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 23558745) is 2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole is CC1=NC2=C(CCC2)C1.
What is the InChIKey of 2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is GZVNXLAAYXRCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-5-7-3-2-4-8(7)9-6/h2-5H2,1H3.
What are the key properties of 2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole?
2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 23558745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).