1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione

C10H17NO4 — CID 22961516

IUPAC1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESCCCCCCN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C10H17NO4/c1-2-3-4-5-6-11-9(14)7(12)8(13)10(11)15/h7-8,12-13H,2-6H2,1H3
InChIKeyOZFMRWPJRDUNMM-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.34
Rot. Bonds5

About 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione

1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione (PubChem CID 22961516) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione
PubChem CID22961516
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESCCCCCCN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C10H17NO4/c1-2-3-4-5-6-11-9(14)7(12)8(13)10(11)15/h7-8,12-13H,2-6H2,1H3
InChIKeyOZFMRWPJRDUNMM-UHFFFAOYSA-N
XLogP-0.34
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione?
The IUPAC name of 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione (CID 22961516) is 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione?
The canonical SMILES for 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione is CCCCCCN1C(=O)C(O)C(O)C1=O.
What is the InChIKey of 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione?
The InChIKey is OZFMRWPJRDUNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-3-4-5-6-11-9(14)7(12)8(13)10(11)15/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione?
1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione has a molecular weight of 215.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3,4-dihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 22961516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).