1-(2-hydroxyheptyl)pyrrolidine-2,5-dione

C11H19NO3 — CID 10398306

IUPAC1-(2-hydroxyheptyl)pyrrolidine-2,5-dione
SMILESCCCCCC(O)CN1C(=O)CCC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-9(13)8-12-10(14)6-7-11(12)15/h9,13H,2-8H2,1H3
InChIKeyMUIGCRADOUBFBF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.08
Rot. Bonds6

About 1-(2-hydroxyheptyl)pyrrolidine-2,5-dione

1-(2-hydroxyheptyl)pyrrolidine-2,5-dione (PubChem CID 10398306) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(2-hydroxyheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyheptyl)pyrrolidine-2,5-dione
PubChem CID10398306
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(2-hydroxyheptyl)pyrrolidine-2,5-dione
SMILESCCCCCC(O)CN1C(=O)CCC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-9(13)8-12-10(14)6-7-11(12)15/h9,13H,2-8H2,1H3
InChIKeyMUIGCRADOUBFBF-UHFFFAOYSA-N
XLogP1.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-hydroxyheptyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxyheptyl)pyrrolidine-2,5-dione (CID 10398306) is 1-(2-hydroxyheptyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyheptyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxyheptyl)pyrrolidine-2,5-dione is CCCCCC(O)CN1C(=O)CCC1=O.
What is the InChIKey of 1-(2-hydroxyheptyl)pyrrolidine-2,5-dione?
The InChIKey is MUIGCRADOUBFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-5-9(13)8-12-10(14)6-7-11(12)15/h9,13H,2-8H2,1H3.
What are the key properties of 1-(2-hydroxyheptyl)pyrrolidine-2,5-dione?
1-(2-hydroxyheptyl)pyrrolidine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 10398306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).