3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione

C19H31N3O2 — CID 150173653

IUPAC3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione
SMILESCCCCc1nccn1C1CC(=O)N(CC(CC)CCCC)C1=O
InChIInChI=1S/C19H31N3O2/c1-4-7-9-15(6-3)14-22-18(23)13-16(19(22)24)21-12-11-20-17(21)10-8-5-2/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyFJYMTOSXMDVFKC-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.74
Rot. Bonds10

About 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione

3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione (PubChem CID 150173653) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione
PubChem CID150173653
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione
SMILESCCCCc1nccn1C1CC(=O)N(CC(CC)CCCC)C1=O
InChIInChI=1S/C19H31N3O2/c1-4-7-9-15(6-3)14-22-18(23)13-16(19(22)24)21-12-11-20-17(21)10-8-5-2/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyFJYMTOSXMDVFKC-UHFFFAOYSA-N
XLogP3.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione (CID 150173653) is 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione is CCCCc1nccn1C1CC(=O)N(CC(CC)CCCC)C1=O.
What is the InChIKey of 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione?
The InChIKey is FJYMTOSXMDVFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-7-9-15(6-3)14-22-18(23)13-16(19(22)24)21-12-11-20-17(21)10-8-5-2/h11-12,15-16H,4-10,13-14H2,1-3H3.
What are the key properties of 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione?
3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione has a molecular weight of 333.48 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylimidazol-1-yl)-1-(2-ethylhexyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 150173653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).