6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal

C10H15NO3 — CID 118192202

IUPAC6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal
SMILESO=CCCCCCN1C(=O)C=CC1O
InChIInChI=1S/C10H15NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h5-6,8-9,13H,1-4,7H2
InChIKeyNLYBEHOLGXLKAR-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.46
Rot. Bonds6

About 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal

6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal (PubChem CID 118192202) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal.

Molecular Properties

Compound Name6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal
PubChem CID118192202
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal
SMILESO=CCCCCCN1C(=O)C=CC1O
InChIInChI=1S/C10H15NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h5-6,8-9,13H,1-4,7H2
InChIKeyNLYBEHOLGXLKAR-UHFFFAOYSA-N
XLogP0.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal?
The IUPAC name of 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal (CID 118192202) is 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal.
What is the SMILES notation for 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal?
The canonical SMILES for 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal is O=CCCCCCN1C(=O)C=CC1O.
What is the InChIKey of 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal?
The InChIKey is NLYBEHOLGXLKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h5-6,8-9,13H,1-4,7H2.
What are the key properties of 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal?
6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal has a molecular weight of 197.23 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanal is sourced from PubChem (CID 118192202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).