3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione

C16H27NO2 — CID 6365395

IUPAC3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCC/C=C/C1CC(=O)NC1=O
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(18)17-16(14)19/h11-12,14H,2-10,13H2,1H3,(H,17,18,19)/b12-11+
InChIKeyYGFOTRAPPJDADS-VAWYXSNFSA-N
MW265.40 g/mol
LogP3.74
Rot. Bonds10

About 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione

3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione (PubChem CID 6365395) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione
PubChem CID6365395
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCC/C=C/C1CC(=O)NC1=O
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(18)17-16(14)19/h11-12,14H,2-10,13H2,1H3,(H,17,18,19)/b12-11+
InChIKeyYGFOTRAPPJDADS-VAWYXSNFSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione (CID 6365395) is 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione is CCCCCCCCCC/C=C/C1CC(=O)NC1=O.
What is the InChIKey of 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione?
The InChIKey is YGFOTRAPPJDADS-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(18)17-16(14)19/h11-12,14H,2-10,13H2,1H3,(H,17,18,19)/b12-11+.
What are the key properties of 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione?
3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione has a molecular weight of 265.40 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-dodec-1-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6365395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).