1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione

C13H19NO5 — CID 157454882

IUPAC1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione
SMILESC=CCC(ON1C(=O)CCC1=O)C(=O)CCC(C)O
InChIInChI=1S/C13H19NO5/c1-3-4-11(10(16)6-5-9(2)15)19-14-12(17)7-8-13(14)18/h3,9,11,15H,1,4-8H2,2H3
InChIKeyNHZJHTHKRFTTPA-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.74
Rot. Bonds8

About 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione

1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione (PubChem CID 157454882) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione
PubChem CID157454882
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione
SMILESC=CCC(ON1C(=O)CCC1=O)C(=O)CCC(C)O
InChIInChI=1S/C13H19NO5/c1-3-4-11(10(16)6-5-9(2)15)19-14-12(17)7-8-13(14)18/h3,9,11,15H,1,4-8H2,2H3
InChIKeyNHZJHTHKRFTTPA-UHFFFAOYSA-N
XLogP0.74
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Formaldehyde;1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione;methane;methanimine;hydrate
CID 157454881

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione?
The IUPAC name of 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione (CID 157454882) is 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione?
The canonical SMILES for 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione is C=CCC(ON1C(=O)CCC1=O)C(=O)CCC(C)O.
What is the InChIKey of 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione?
The InChIKey is NHZJHTHKRFTTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-3-4-11(10(16)6-5-9(2)15)19-14-12(17)7-8-13(14)18/h3,9,11,15H,1,4-8H2,2H3.
What are the key properties of 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione?
1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-5-oxonon-1-en-4-yl)oxypyrrolidine-2,5-dione is sourced from PubChem (CID 157454882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).