4-(2,5-dihydropyrrol-1-yl)butanoic acid

C8H13NO2 — CID 64679977

IUPAC4-(2,5-dihydropyrrol-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC=CC1
InChIInChI=1S/C8H13NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-2H,3-7H2,(H,10,11)
InChIKeyPAOYLRFWYGXCRU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.72
Rot. Bonds4

About 4-(2,5-dihydropyrrol-1-yl)butanoic acid

4-(2,5-dihydropyrrol-1-yl)butanoic acid (PubChem CID 64679977) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)butanoic acid
PubChem CID64679977
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-(2,5-dihydropyrrol-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC=CC1
InChIInChI=1S/C8H13NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-2H,3-7H2,(H,10,11)
InChIKeyPAOYLRFWYGXCRU-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,5-dihydropyrrol-1-yl)butanoic acid 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 4-(2,5-dihydropyrrol-1-yl)butanoic acid?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)butanoic acid (CID 64679977) is 4-(2,5-dihydropyrrol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)butanoic acid?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)butanoic acid is O=C(O)CCCN1CC=CC1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)butanoic acid?
The InChIKey is PAOYLRFWYGXCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-2H,3-7H2,(H,10,11).
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)butanoic acid?
4-(2,5-dihydropyrrol-1-yl)butanoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)butanoic acid is sourced from PubChem (CID 64679977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).