1-(6-hydroxyhexyl)pyrrolidine-2,5-dione

C10H17NO3 — CID 70256801

IUPAC1-(6-hydroxyhexyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCCO
InChIInChI=1S/C10H17NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h12H,1-8H2
InChIKeyBIKMYXBBCSSQLK-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.69
Rot. Bonds6

About 1-(6-hydroxyhexyl)pyrrolidine-2,5-dione

1-(6-hydroxyhexyl)pyrrolidine-2,5-dione (PubChem CID 70256801) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(6-hydroxyhexyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(6-hydroxyhexyl)pyrrolidine-2,5-dione
PubChem CID70256801
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(6-hydroxyhexyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCCO
InChIInChI=1S/C10H17NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h12H,1-8H2
InChIKeyBIKMYXBBCSSQLK-UHFFFAOYSA-N
XLogP0.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.69
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-(6-hydroxyhexyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(6-hydroxyhexyl)pyrrolidine-2,5-dione (CID 70256801) is 1-(6-hydroxyhexyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(6-hydroxyhexyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(6-hydroxyhexyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCCCO.
What is the InChIKey of 1-(6-hydroxyhexyl)pyrrolidine-2,5-dione?
The InChIKey is BIKMYXBBCSSQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14/h12H,1-8H2.
What are the key properties of 1-(6-hydroxyhexyl)pyrrolidine-2,5-dione?
1-(6-hydroxyhexyl)pyrrolidine-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxyhexyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 70256801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).