1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione

C20H35NO2 — CID 23220872

IUPAC1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCCC/C=C(\CCC)N1C(=O)CCC1=O
InChIInChI=1S/C20H35NO2/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2)21-19(22)16-17-20(21)23/h15H,3-14,16-17H2,1-2H3/b18-15+
InChIKeyBWDOBJXGQMMOBR-OBGWFSINSA-N
MW321.51 g/mol
LogP5.74
Rot. Bonds13

About 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione

1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione (PubChem CID 23220872) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione
PubChem CID23220872
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione
SMILESCCCCCCCCCCC/C=C(\CCC)N1C(=O)CCC1=O
InChIInChI=1S/C20H35NO2/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2)21-19(22)16-17-20(21)23/h15H,3-14,16-17H2,1-2H3/b18-15+
InChIKeyBWDOBJXGQMMOBR-OBGWFSINSA-N
XLogP5.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-docosanoylpyrrolidine-2,5-dione
CID 149150583
1-(7-methylnonadec-7-en-6-yl)pyrrolidine-2,5-dione
CID 68597730
1-(10-methyltricos-10-en-9-yl)pyrrolidine-2,5-dione
CID 68595940
1-[(E)-6-methyltricos-6-en-5-yl]pyrrolidine-2,5-dione
CID 68597885
1-octadeca-1,3-dien-3-ylpyrrolidin-2-one
CID 175797360
1-non-1-enylpyrrolidine-2,5-dione
CID 175549961
1-[(E)-1-iodooct-1-enyl]pyrrolidin-2-one
CID 134921298
1-[(E)-1-bromooct-1-enyl]pyrrolidin-2-one
CID 134988277
1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
CID 68586351
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
4-methylhexadec-4-ene
CID 174447790
1,1-dibromotridec-1-ene
CID 14681915

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione (CID 23220872) is 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione is CCCCCCCCCCC/C=C(\CCC)N1C(=O)CCC1=O.
What is the InChIKey of 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione?
The InChIKey is BWDOBJXGQMMOBR-OBGWFSINSA-N. The full InChI is InChI=1S/C20H35NO2/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2)21-19(22)16-17-20(21)23/h15H,3-14,16-17H2,1-2H3/b18-15+.
What are the key properties of 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione?
1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione has a molecular weight of 321.51 g/mol, XLogP of 5.74, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hexadec-4-en-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 23220872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).