7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid

C11H17NO4 — CID 143686162

IUPAC7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)C=CC1O
InChIInChI=1S/C11H17NO4/c13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16/h6-7,9,13H,1-5,8H2,(H,15,16)
InChIKeyAWXCPQNKUHRLGC-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.74
Rot. Bonds7

About 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid

7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid (PubChem CID 143686162) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid
PubChem CID143686162
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)C=CC1O
InChIInChI=1S/C11H17NO4/c13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16/h6-7,9,13H,1-5,8H2,(H,15,16)
InChIKeyAWXCPQNKUHRLGC-UHFFFAOYSA-N
XLogP0.74
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid?
The IUPAC name of 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid (CID 143686162) is 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid.
What is the SMILES notation for 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid?
The canonical SMILES for 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid is O=C(O)CCCCCCN1C(=O)C=CC1O.
What is the InChIKey of 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid?
The InChIKey is AWXCPQNKUHRLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16/h6-7,9,13H,1-5,8H2,(H,15,16).
What are the key properties of 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid?
7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)heptanoic acid is sourced from PubChem (CID 143686162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).