3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

C22H38N2O2 — CID 68555104

IUPAC3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCC/C=C/C1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C22H38N2O2/c1-7-8-9-10-11-12-13-17-14-19(25)24(20(17)26)18-15-21(2,3)23(6)22(4,5)16-18/h12-13,17-18H,7-11,14-16H2,1-6H3/b13-12+
InChIKeyWZCYBDHZJRNSNT-OUKQBFOZSA-N
MW362.56 g/mol
LogP4.54
Rot. Bonds7

About 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 68555104) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID68555104
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCC/C=C/C1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C22H38N2O2/c1-7-8-9-10-11-12-13-17-14-19(25)24(20(17)26)18-15-21(2,3)23(6)22(4,5)16-18/h12-13,17-18H,7-11,14-16H2,1-6H3/b13-12+
InChIKeyWZCYBDHZJRNSNT-OUKQBFOZSA-N
XLogP4.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.54
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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Related Compounds

1-[2-[2-[2-[2-[2,5-dioxo-3-[(E)-tetracont-1-enyl]pyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]-3-[(E)-hexatriacont-1-enyl]pyrrolidine-2,5-dione
CID 6441938
3,3-didecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 57148925
3-dodecyl-1-(1-ethenyl-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 150658011
1-(trichloromethylsulfanyl)-3-undec-1-enylpyrrolidine-2,5-dione
CID 152762265
3-[(E)-dodec-1-enyl]oxolane-2,5-dione;3-[(E)-undec-1-enyl]oxolane-2,5-dione
CID 87423856
(3S)-3-[(E)-octadec-1-enyl]oxolane-2,5-dione
CID 98045012
3-oct-1-enyloxolane-2,5-dione
CID 24442
3-undec-1-enylpyrrolidine-2,5-dione
CID 70619717
3-[(E)-hexadec-1-enyl]pyrrolidine-2,5-dione
CID 23513051
3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 70393337
sodium;3-dodec-1-enyloxolane-2,5-dione;hydride
CID 174902776
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 68555104) is 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCC/C=C/C1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is WZCYBDHZJRNSNT-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-7-8-9-10-11-12-13-17-14-19(25)24(20(17)26)18-15-21(2,3)23(6)22(4,5)16-18/h12-13,17-18H,7-11,14-16H2,1-6H3/b13-12+.
What are the key properties of 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 362.56 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-oct-1-enyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 68555104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).