3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione

C20H35NO3 — CID 67894776

IUPAC3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCC=CC1CC(=O)N(CCCCO)C1=O
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-19(23)21(20(18)24)15-12-13-16-22/h11,14,18,22H,2-10,12-13,15-17H2,1H3
InChIKeyKRPPNMIVTIOLHJ-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.22
Rot. Bonds14

About 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione

3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione (PubChem CID 67894776) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione
PubChem CID67894776
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCC=CC1CC(=O)N(CCCCO)C1=O
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-19(23)21(20(18)24)15-12-13-16-22/h11,14,18,22H,2-10,12-13,15-17H2,1H3
InChIKeyKRPPNMIVTIOLHJ-UHFFFAOYSA-N
XLogP4.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione (CID 67894776) is 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione is CCCCCCCCCCC=CC1CC(=O)N(CCCCO)C1=O.
What is the InChIKey of 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione?
The InChIKey is KRPPNMIVTIOLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-19(23)21(20(18)24)15-12-13-16-22/h11,14,18,22H,2-10,12-13,15-17H2,1H3.
What are the key properties of 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione?
3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione has a molecular weight of 337.50 g/mol, XLogP of 4.22, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67894776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).