(2,5-dioxopyrrolidin-1-yl) undec-10-enoate

C15H23NO4 — CID 2794467

IUPAC(2,5-dioxopyrrolidin-1-yl) undec-10-enoate
SMILESC=CCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h2H,1,3-12H2
InChIKeyOGMHSLIKBSLUAR-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.90
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) undec-10-enoate

(2,5-dioxopyrrolidin-1-yl) undec-10-enoate (PubChem CID 2794467) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) undec-10-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) undec-10-enoate
PubChem CID2794467
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) undec-10-enoate
SMILESC=CCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h2H,1,3-12H2
InChIKeyOGMHSLIKBSLUAR-UHFFFAOYSA-N
XLogP2.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) undec-10-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) undec-10-enoate (CID 2794467) is (2,5-dioxopyrrolidin-1-yl) undec-10-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) undec-10-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) undec-10-enoate is C=CCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) undec-10-enoate?
The InChIKey is OGMHSLIKBSLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18/h2H,1,3-12H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) undec-10-enoate?
(2,5-dioxopyrrolidin-1-yl) undec-10-enoate has a molecular weight of 281.35 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) undec-10-enoate is sourced from PubChem (CID 2794467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).