4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid

C11H17NO2 — CID 79680066

IUPAC4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid
SMILESCC1CCCN1C1C=CC(C(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-8-3-2-6-12(8)10-5-4-9(7-10)11(13)14/h4-5,8-10H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyMDWWDQASAUELSL-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.50
Rot. Bonds2

About 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid

4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79680066) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid
PubChem CID79680066
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid
SMILESCC1CCCN1C1C=CC(C(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-8-3-2-6-12(8)10-5-4-9(7-10)11(13)14/h4-5,8-10H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyMDWWDQASAUELSL-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid 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

4-(azepan-1-yl)cyclopent-2-ene-1-carboxylic acid
CID 79689638
4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
1-cyclohex-2-en-1-yl-2-methylpyrrolidine
CID 126995474
4-(2-oxopyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid
CID 79208618
4-[(4-methylazepane-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216790
4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79215982
4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129375560
4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102961866
4-(cyclopentylamino)cyclopent-2-ene-1-carboxylic acid
CID 82934042
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
4-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191673

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid (CID 79680066) is 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid is CC1CCCN1C1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is MDWWDQASAUELSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-3-2-6-12(8)10-5-4-9(7-10)11(13)14/h4-5,8-10H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid?
4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79680066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).