3-icos-8-en-8-ylpyrrolidine-2,5-dione

C24H43NO2 — CID 68599740

IUPAC3-icos-8-en-8-ylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCC=C(CCCCCCC)C1CC(=O)NC1=O
InChIInChI=1S/C24H43NO2/c1-3-5-7-9-10-11-12-13-15-17-19-21(18-16-14-8-6-4-2)22-20-23(26)25-24(22)27/h19,22H,3-18,20H2,1-2H3,(H,25,26,27)
InChIKeyWPKHCTKYSLKJPC-UHFFFAOYSA-N
MW377.61 g/mol
LogP6.86
Rot. Bonds17

About 3-icos-8-en-8-ylpyrrolidine-2,5-dione

3-icos-8-en-8-ylpyrrolidine-2,5-dione (PubChem CID 68599740) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 3-icos-8-en-8-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-icos-8-en-8-ylpyrrolidine-2,5-dione
PubChem CID68599740
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC Name3-icos-8-en-8-ylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCC=C(CCCCCCC)C1CC(=O)NC1=O
InChIInChI=1S/C24H43NO2/c1-3-5-7-9-10-11-12-13-15-17-19-21(18-16-14-8-6-4-2)22-20-23(26)25-24(22)27/h19,22H,3-18,20H2,1-2H3,(H,25,26,27)
InChIKeyWPKHCTKYSLKJPC-UHFFFAOYSA-N
XLogP6.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 56.86
H-Bond Donors ≤ 51
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

3-undec-1-enylpyrrolidine-2,5-dione
CID 70619717
3-[(E)-hexadec-1-enyl]pyrrolidine-2,5-dione
CID 23513051
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
3-[(E)-2-hexyldec-2-enyl]oxolane-2,5-dione
CID 118424588
3-[(Z)-docos-13-enoyl]oxolane-2,5-dione
CID 175125548
3-heptylidenepyrrolidine-2,5-dione
CID 141176728
(4S)-4-hexadec-9-enoylazepan-2-one
CID 91367749
7-methyloctadec-7-ene
CID 123477460
hexatriacont-17-en-18-ol
CID 173290872
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653

Frequently Asked Questions

What is the IUPAC name of 3-icos-8-en-8-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-icos-8-en-8-ylpyrrolidine-2,5-dione (CID 68599740) is 3-icos-8-en-8-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-icos-8-en-8-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-icos-8-en-8-ylpyrrolidine-2,5-dione is CCCCCCCCCCCC=C(CCCCCCC)C1CC(=O)NC1=O.
What is the InChIKey of 3-icos-8-en-8-ylpyrrolidine-2,5-dione?
The InChIKey is WPKHCTKYSLKJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2/c1-3-5-7-9-10-11-12-13-15-17-19-21(18-16-14-8-6-4-2)22-20-23(26)25-24(22)27/h19,22H,3-18,20H2,1-2H3,(H,25,26,27).
What are the key properties of 3-icos-8-en-8-ylpyrrolidine-2,5-dione?
3-icos-8-en-8-ylpyrrolidine-2,5-dione has a molecular weight of 377.61 g/mol, XLogP of 6.86, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-icos-8-en-8-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 68599740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).