3-nonylidenepyrrolidine-2,5-dione

C13H21NO2 — CID 54243610

IUPAC3-nonylidenepyrrolidine-2,5-dione
SMILESCCCCCCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-9-11-10-12(15)14-13(11)16/h9H,2-8,10H2,1H3,(H,14,15,16)
InChIKeyQRSQBYHUBFTDAO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.71
Rot. Bonds7

About 3-nonylidenepyrrolidine-2,5-dione

3-nonylidenepyrrolidine-2,5-dione (PubChem CID 54243610) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-nonylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-nonylidenepyrrolidine-2,5-dione
PubChem CID54243610
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-nonylidenepyrrolidine-2,5-dione
SMILESCCCCCCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-9-11-10-12(15)14-13(11)16/h9H,2-8,10H2,1H3,(H,14,15,16)
InChIKeyQRSQBYHUBFTDAO-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(Dodecenyl)pyrrolidine-2,5-dione
CID 3015833
(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione
CID 131243894
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
3-Ethylidene-2,5-pyrrolidinedione
CID 59906841
(Z)-3-Ethylidene-4-methyl-2,5-pyrrolidinedione
CID 71468111
3-(Dodec-1-EN-1-YL)pyrrolidine-2,5-dione
CID 6365395
(3Z)-3-ethylidenepyrrolidine-2,5-dione
CID 117796337
3-Ethylidene-4-methylpyrrolidine-2,5-dione
CID 53439587
3-[(E)-dec-1-enyl]pyrrolidine-2,5-dione
CID 20358477
3-Decylpyrrole-2,5-dione
CID 20467084
3-Tetradecylpyrrole-2,5-dione
CID 21332570

Frequently Asked Questions

What is the IUPAC name of 3-nonylidenepyrrolidine-2,5-dione?
The IUPAC name of 3-nonylidenepyrrolidine-2,5-dione (CID 54243610) is 3-nonylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 3-nonylidenepyrrolidine-2,5-dione?
The canonical SMILES for 3-nonylidenepyrrolidine-2,5-dione is CCCCCCCCC=C1CC(=O)NC1=O.
What is the InChIKey of 3-nonylidenepyrrolidine-2,5-dione?
The InChIKey is QRSQBYHUBFTDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-9-11-10-12(15)14-13(11)16/h9H,2-8,10H2,1H3,(H,14,15,16).
What are the key properties of 3-nonylidenepyrrolidine-2,5-dione?
3-nonylidenepyrrolidine-2,5-dione has a molecular weight of 223.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 54243610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).