(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

C24H35NO4 — CID 10716064

IUPAC(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-25-22(26)20-21-23(25)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyPGXVZDBDYJGWCM-DOFZRALJSA-N
MW401.55 g/mol
LogP5.74
Rot. Bonds15

About (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (PubChem CID 10716064) has the molecular formula C24H35NO4 and a molecular weight of 401.55 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
PubChem CID10716064
Molecular FormulaC24H35NO4
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-25-22(26)20-21-23(25)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyPGXVZDBDYJGWCM-DOFZRALJSA-N
XLogP5.74
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.74
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'}

Analyze (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (CID 10716064) is (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The InChIKey is PGXVZDBDYJGWCM-DOFZRALJSA-N. The full InChI is InChI=1S/C24H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-25-22(26)20-21-23(25)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate has a molecular weight of 401.55 g/mol, XLogP of 5.74, 15 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) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 10716064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).