(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C24H33NO4 — CID 154013354

IUPAC(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H33NO4/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/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyPVMFNQXSDXIOIL-JLNKQSITSA-N
MW399.53 g/mol
LogP5.52
Rot. Bonds14

About (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (PubChem CID 154013354) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
PubChem CID154013354
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H33NO4/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/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyPVMFNQXSDXIOIL-JLNKQSITSA-N
XLogP5.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.52
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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Related Compounds

(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348
tricosa-5,8,11,14,17,20-hexaenoyl tricosa-5,8,11,14,17,20-hexaenoate
CID 154134674
ethyl (5Z,8Z,11E,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 169439998
methyl dodeca-6,9-dienoate
CID 123311078
(2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate
CID 87985069
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (CID 154013354) is (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate is CC/C=C\C/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,17Z)-icosa-5,8,11,14,17-pentaenoate?
The InChIKey is PVMFNQXSDXIOIL-JLNKQSITSA-N. The full InChI is InChI=1S/C24H33NO4/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/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?
(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate has a molecular weight of 399.53 g/mol, XLogP of 5.52, 14 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,17Z)-icosa-5,8,11,14,17-pentaenoate is sourced from PubChem (CID 154013354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).