5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole

C11H15N — CID 59152625

IUPAC5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole
SMILESCC1=CC(CC2=CCC=N2)CC1
InChIInChI=1S/C11H15N/c1-9-4-5-10(7-9)8-11-3-2-6-12-11/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeySWTWFEBUXCJZGV-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.09
Rot. Bonds2

About 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole

5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole (PubChem CID 59152625) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole.

Molecular Properties

Compound Name5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole
PubChem CID59152625
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole
SMILESCC1=CC(CC2=CCC=N2)CC1
InChIInChI=1S/C11H15N/c1-9-4-5-10(7-9)8-11-3-2-6-12-11/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeySWTWFEBUXCJZGV-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-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

3,4,5,5a,6,7-Hexahydrocyclopenta[b]azepine
CID 129873648
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
5-(3-methylbutyl)-3H-pyrrole
CID 58324839
5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole
CID 59152616
5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152617
5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152619
5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916
5-ethyl-4,5,6,7-tetrahydro-3H-indole
CID 68040987
5-methyl-4,5,6,7-tetrahydro-3H-indole
CID 70571864
3-Methyl-6-octyl-3,4-dihydropyridine
CID 71148391
5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 89185960

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole?
The IUPAC name of 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole (CID 59152625) is 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole.
What is the SMILES notation for 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole?
The canonical SMILES for 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole is CC1=CC(CC2=CCC=N2)CC1.
What is the InChIKey of 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole?
The InChIKey is SWTWFEBUXCJZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-4-5-10(7-9)8-11-3-2-6-12-11/h3,6-7,10H,2,4-5,8H2,1H3.
What are the key properties of 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole?
5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole has a molecular weight of 161.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole is sourced from PubChem (CID 59152625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).