1-docosa-1,21-dienylpyrrolidine-2,5-dione

C26H45NO2 — CID 139765714

IUPAC1-docosa-1,21-dienylpyrrolidine-2,5-dione
SMILESC=CCCCCCCCCCCCCCCCCCCC=CN1C(=O)CCC1=O
InChIInChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25(28)22-23-26(27)29/h2,21,24H,1,3-20,22-23H2
InChIKeyUXDQLSCWUPGGQR-UHFFFAOYSA-N
MW403.65 g/mol
LogP7.86
Rot. Bonds20

About 1-docosa-1,21-dienylpyrrolidine-2,5-dione

1-docosa-1,21-dienylpyrrolidine-2,5-dione (PubChem CID 139765714) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is 1-docosa-1,21-dienylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-docosa-1,21-dienylpyrrolidine-2,5-dione
PubChem CID139765714
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC Name1-docosa-1,21-dienylpyrrolidine-2,5-dione
SMILESC=CCCCCCCCCCCCCCCCCCCC=CN1C(=O)CCC1=O
InChIInChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25(28)22-23-26(27)29/h2,21,24H,1,3-20,22-23H2
InChIKeyUXDQLSCWUPGGQR-UHFFFAOYSA-N
XLogP7.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-nona-1,8-dienylpyrrolidine-2,5-dione
CID 139765716
1-non-1-enylpyrrolidine-2,5-dione
CID 175549961
icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
1-undec-10-enylpiperidin-2-one
CID 23295884
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
(2,5-dioxopyrrolidin-1-yl) hept-6-enoate
CID 118510926
1-nonadec-18-enoylazepan-2-one
CID 19855822
1-oct-7-enylpyrrole-2,5-dione
CID 175459396
1-undec-10-enylpyrrole-2,5-dione
CID 86066335
1,3,5-tris(dec-9-enyl)-1,3,5-triazinane-2,4,6-trione
CID 135325486

Frequently Asked Questions

What is the IUPAC name of 1-docosa-1,21-dienylpyrrolidine-2,5-dione?
The IUPAC name of 1-docosa-1,21-dienylpyrrolidine-2,5-dione (CID 139765714) is 1-docosa-1,21-dienylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-docosa-1,21-dienylpyrrolidine-2,5-dione?
The canonical SMILES for 1-docosa-1,21-dienylpyrrolidine-2,5-dione is C=CCCCCCCCCCCCCCCCCCCC=CN1C(=O)CCC1=O.
What is the InChIKey of 1-docosa-1,21-dienylpyrrolidine-2,5-dione?
The InChIKey is UXDQLSCWUPGGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25(28)22-23-26(27)29/h2,21,24H,1,3-20,22-23H2.
What are the key properties of 1-docosa-1,21-dienylpyrrolidine-2,5-dione?
1-docosa-1,21-dienylpyrrolidine-2,5-dione has a molecular weight of 403.65 g/mol, XLogP of 7.86, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-docosa-1,21-dienylpyrrolidine-2,5-dione is sourced from PubChem (CID 139765714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).