1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione

C21H38N2O2 — CID 68542123

IUPAC1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione
SMILESCCCCCCCCC=CCCC1CC(=O)N(CCCN(C)C)C1=O
InChIInChI=1S/C21H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-15-19-18-20(24)23(21(19)25)17-14-16-22(2)3/h11-12,19H,4-10,13-18H2,1-3H3
InChIKeyNFNHQKKGOPQMDX-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.40
Rot. Bonds14

About 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione

1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione (PubChem CID 68542123) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione
PubChem CID68542123
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione
SMILESCCCCCCCCC=CCCC1CC(=O)N(CCCN(C)C)C1=O
InChIInChI=1S/C21H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-15-19-18-20(24)23(21(19)25)17-14-16-22(2)3/h11-12,19H,4-10,13-18H2,1-3H3
InChIKeyNFNHQKKGOPQMDX-UHFFFAOYSA-N
XLogP4.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
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 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione (CID 68542123) is 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione is CCCCCCCCC=CCCC1CC(=O)N(CCCN(C)C)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione?
The InChIKey is NFNHQKKGOPQMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-15-19-18-20(24)23(21(19)25)17-14-16-22(2)3/h11-12,19H,4-10,13-18H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione?
1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione has a molecular weight of 350.55 g/mol, XLogP of 4.40, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-dodec-3-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 68542123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).