7-(2,5-dihydropyrrol-1-yl)heptanoic acid

C11H19NO2 — CID 64681022

IUPAC7-(2,5-dihydropyrrol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1CC=CC1
InChIInChI=1S/C11H19NO2/c13-11(14)7-3-1-2-4-8-12-9-5-6-10-12/h5-6H,1-4,7-10H2,(H,13,14)
InChIKeyAYZBZZHBLVLURJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.89
Rot. Bonds7

About 7-(2,5-dihydropyrrol-1-yl)heptanoic acid

7-(2,5-dihydropyrrol-1-yl)heptanoic acid (PubChem CID 64681022) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-(2,5-dihydropyrrol-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(2,5-dihydropyrrol-1-yl)heptanoic acid
PubChem CID64681022
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name7-(2,5-dihydropyrrol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1CC=CC1
InChIInChI=1S/C11H19NO2/c13-11(14)7-3-1-2-4-8-12-9-5-6-10-12/h5-6H,1-4,7-10H2,(H,13,14)
InChIKeyAYZBZZHBLVLURJ-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(2,5-dihydropyrrol-1-yl)heptanoic 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 7-(2,5-dihydropyrrol-1-yl)heptanoic acid?
The IUPAC name of 7-(2,5-dihydropyrrol-1-yl)heptanoic acid (CID 64681022) is 7-(2,5-dihydropyrrol-1-yl)heptanoic acid.
What is the SMILES notation for 7-(2,5-dihydropyrrol-1-yl)heptanoic acid?
The canonical SMILES for 7-(2,5-dihydropyrrol-1-yl)heptanoic acid is O=C(O)CCCCCCN1CC=CC1.
What is the InChIKey of 7-(2,5-dihydropyrrol-1-yl)heptanoic acid?
The InChIKey is AYZBZZHBLVLURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)7-3-1-2-4-8-12-9-5-6-10-12/h5-6H,1-4,7-10H2,(H,13,14).
What are the key properties of 7-(2,5-dihydropyrrol-1-yl)heptanoic acid?
7-(2,5-dihydropyrrol-1-yl)heptanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dihydropyrrol-1-yl)heptanoic acid is sourced from PubChem (CID 64681022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).