6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid

C10H15NO3 — CID 118448193

IUPAC6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC=CC1=O
InChIInChI=1S/C10H15NO3/c12-9-5-4-8-11(9)7-3-1-2-6-10(13)14/h4-5H,1-3,6-8H2,(H,13,14)
InChIKeyAOOPRBRGYFPVPO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.03
Rot. Bonds6

About 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid

6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid (PubChem CID 118448193) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid
PubChem CID118448193
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC=CC1=O
InChIInChI=1S/C10H15NO3/c12-9-5-4-8-11(9)7-3-1-2-6-10(13)14/h4-5H,1-3,6-8H2,(H,13,14)
InChIKeyAOOPRBRGYFPVPO-UHFFFAOYSA-N
XLogP1.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(5-oxo-2H-pyrrol-1-yl)hexanoic 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 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid?
The IUPAC name of 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid (CID 118448193) is 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid.
What is the SMILES notation for 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid?
The canonical SMILES for 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid is O=C(O)CCCCCN1CC=CC1=O.
What is the InChIKey of 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid?
The InChIKey is AOOPRBRGYFPVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-5-4-8-11(9)7-3-1-2-6-10(13)14/h4-5H,1-3,6-8H2,(H,13,14).
What are the key properties of 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid?
6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid is sourced from PubChem (CID 118448193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).