3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole

C8H11N — CID 158270781

IUPAC3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
SMILESCC1=NCC2=C1CCC2
InChIInChI=1S/C8H11N/c1-6-8-4-2-3-7(8)5-9-6/h2-5H2,1H3
InChIKeyALWWNDBXGFFFKN-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.94
Rot. Bonds

About 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole

3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole (PubChem CID 158270781) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
PubChem CID158270781
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
SMILESCC1=NCC2=C1CCC2
InChIInChI=1S/C8H11N/c1-6-8-4-2-3-7(8)5-9-6/h2-5H2,1H3
InChIKeyALWWNDBXGFFFKN-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole with MolForge

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

Launch Full Analysis

Related Compounds

5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035
5-Methyl-3-propan-2-ylidene-2,4-dihydropyrrole
CID 13017224
3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
CID 20674236
3-Methyl-1,4,5,6,7,8-hexahydroisoquinoline
CID 23558738
3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
CID 23558740
2-Methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 23558745
4-butyl-3,5-dimethyl-2H-pyrrole
CID 58851243
3-Methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 59820630
3-Tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
CID 89639577
ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
CID 90760061
Ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 91101310

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole (CID 158270781) is 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole is CC1=NCC2=C1CCC2.
What is the InChIKey of 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole?
The InChIKey is ALWWNDBXGFFFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-8-4-2-3-7(8)5-9-6/h2-5H2,1H3.
What are the key properties of 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole?
3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole has a molecular weight of 121.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 158270781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).