3-ethyl-1-nonylpyrrolidine-2,5-dione

C15H27NO2 — CID 512846

IUPAC3-ethyl-1-nonylpyrrolidine-2,5-dione
SMILESCCCCCCCCCN1C(=O)CC(CC)C1=O
InChIInChI=1S/C15H27NO2/c1-3-5-6-7-8-9-10-11-16-14(17)12-13(4-2)15(16)18/h13H,3-12H2,1-2H3
InChIKeyXNXQZVTVYKWKDP-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.52
Rot. Bonds9

About 3-ethyl-1-nonylpyrrolidine-2,5-dione

3-ethyl-1-nonylpyrrolidine-2,5-dione (PubChem CID 512846) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-ethyl-1-nonylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-nonylpyrrolidine-2,5-dione
PubChem CID512846
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-ethyl-1-nonylpyrrolidine-2,5-dione
SMILESCCCCCCCCCN1C(=O)CC(CC)C1=O
InChIInChI=1S/C15H27NO2/c1-3-5-6-7-8-9-10-11-16-14(17)12-13(4-2)15(16)18/h13H,3-12H2,1-2H3
InChIKeyXNXQZVTVYKWKDP-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-nonylpyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-1-nonylpyrrolidine-2,5-dione (CID 512846) is 3-ethyl-1-nonylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-nonylpyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-1-nonylpyrrolidine-2,5-dione is CCCCCCCCCN1C(=O)CC(CC)C1=O.
What is the InChIKey of 3-ethyl-1-nonylpyrrolidine-2,5-dione?
The InChIKey is XNXQZVTVYKWKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-5-6-7-8-9-10-11-16-14(17)12-13(4-2)15(16)18/h13H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-1-nonylpyrrolidine-2,5-dione?
3-ethyl-1-nonylpyrrolidine-2,5-dione has a molecular weight of 253.39 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-nonylpyrrolidine-2,5-dione is sourced from PubChem (CID 512846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).