3-undec-1-enylpyrrolidine-2,5-dione

C15H25NO2 — CID 70619717

IUPAC3-undec-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCCCC=CC1CC(=O)NC1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(17)16-15(13)18/h10-11,13H,2-9,12H2,1H3,(H,16,17,18)
InChIKeyUWIOIXYWMOFZFJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.35
Rot. Bonds9

About 3-undec-1-enylpyrrolidine-2,5-dione

3-undec-1-enylpyrrolidine-2,5-dione (PubChem CID 70619717) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-undec-1-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-undec-1-enylpyrrolidine-2,5-dione
PubChem CID70619717
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-undec-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCCCC=CC1CC(=O)NC1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(17)16-15(13)18/h10-11,13H,2-9,12H2,1H3,(H,16,17,18)
InChIKeyUWIOIXYWMOFZFJ-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.35
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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Related Compounds

3-[(E)-hexadec-1-enyl]pyrrolidine-2,5-dione
CID 23513051
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
3-oct-1-enyloxolane-2,5-dione
CID 24442
(3S)-3-[(E)-octadec-1-enyl]oxolane-2,5-dione
CID 98045012
3-[(E)-dodec-1-enyl]oxolane-2,5-dione;3-[(E)-undec-1-enyl]oxolane-2,5-dione
CID 87423856
sodium;3-dodec-1-enyloxolane-2,5-dione;hydride
CID 174902776
3-icos-8-en-8-ylpyrrolidine-2,5-dione
CID 68599740
3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione
CID 21217415
3-hexadec-1-enyloxane-2,6-dione
CID 54115063
3-icos-1-enyloxane-2,6-dione
CID 54346397
4-docos-1-enyl-5-sulfanylideneoxolan-2-one
CID 139774463
3-oct-1-enyloxiran-2-one
CID 90850629

Frequently Asked Questions

What is the IUPAC name of 3-undec-1-enylpyrrolidine-2,5-dione?
The IUPAC name of 3-undec-1-enylpyrrolidine-2,5-dione (CID 70619717) is 3-undec-1-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-undec-1-enylpyrrolidine-2,5-dione?
The canonical SMILES for 3-undec-1-enylpyrrolidine-2,5-dione is CCCCCCCCCC=CC1CC(=O)NC1=O.
What is the InChIKey of 3-undec-1-enylpyrrolidine-2,5-dione?
The InChIKey is UWIOIXYWMOFZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(17)16-15(13)18/h10-11,13H,2-9,12H2,1H3,(H,16,17,18).
What are the key properties of 3-undec-1-enylpyrrolidine-2,5-dione?
3-undec-1-enylpyrrolidine-2,5-dione has a molecular weight of 251.37 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undec-1-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 70619717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).