3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione

C14H25NO3 — CID 121322626

IUPAC3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione
SMILESCCCCOC(CC)C1C(=O)N(CC)C(=O)C1C
InChIInChI=1S/C14H25NO3/c1-5-8-9-18-11(6-2)12-10(4)13(16)15(7-3)14(12)17/h10-12H,5-9H2,1-4H3
InChIKeyRFKXZGSPIHLUAB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds7

About 3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione

3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione (PubChem CID 121322626) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione
PubChem CID121322626
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione
SMILESCCCCOC(CC)C1C(=O)N(CC)C(=O)C1C
InChIInChI=1S/C14H25NO3/c1-5-8-9-18-11(6-2)12-10(4)13(16)15(7-3)14(12)17/h10-12H,5-9H2,1-4H3
InChIKeyRFKXZGSPIHLUAB-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione (CID 121322626) is 3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione is CCCCOC(CC)C1C(=O)N(CC)C(=O)C1C.
What is the InChIKey of 3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione?
The InChIKey is RFKXZGSPIHLUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-8-9-18-11(6-2)12-10(4)13(16)15(7-3)14(12)17/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione?
3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione has a molecular weight of 255.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 121322626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).