nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate

C19H33NO4 — CID 70682128

IUPACnonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
SMILESCCCCCCCCCOC(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C19H33NO4/c1-2-3-4-5-6-7-11-16-24-19(23)12-9-8-10-15-20-17(21)13-14-18(20)22/h2-16H2,1H3
InChIKeyZPLWXNBITAYGAH-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.99
Rot. Bonds14

About nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate

nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate (PubChem CID 70682128) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate.

Molecular Properties

Compound Namenonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
PubChem CID70682128
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Namenonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
SMILESCCCCCCCCCOC(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C19H33NO4/c1-2-3-4-5-6-7-11-16-24-19(23)12-9-8-10-15-20-17(21)13-14-18(20)22/h2-16H2,1H3
InChIKeyZPLWXNBITAYGAH-UHFFFAOYSA-N
XLogP3.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
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 nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The IUPAC name of nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate (CID 70682128) is nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate.
What is the SMILES notation for nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The canonical SMILES for nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate is CCCCCCCCCOC(=O)CCCCCN1C(=O)CCC1=O.
What is the InChIKey of nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The InChIKey is ZPLWXNBITAYGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-2-3-4-5-6-7-11-16-24-19(23)12-9-8-10-15-20-17(21)13-14-18(20)22/h2-16H2,1H3.
What are the key properties of nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate has a molecular weight of 339.48 g/mol, XLogP of 3.99, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate is sourced from PubChem (CID 70682128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).