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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Related Compounds

(1S,2R,6R,7R)-4-[(2S)-2-ethylhexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99937750
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
1-(2-ethylhexyl)spiro[azetidine-3,5'-bicyclo[2.2.1]hept-2-ene]-2,4-dione
CID 68820478
2-(2-ethylhexyl)-6,7-dimethylbenzo[de]isoquinoline-1,3-dione
CID 157287985
3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 121014355
1-(2-ethylhexyl)-3-methyl-1,3-diazinane-2,4,6-trione
CID 21307382
2-butyl-1-methylimidazole;fluoroform
CID 162050255
3-amino-1-(2-ethylhexyl)azetidin-2-one
CID 107819375
1-(2-ethylhexyl)imidazole-2-carboxamide
CID 70128665
7,22-bis(2-ethylhexyl)-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 58212311
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
3-chloro-1-(2-ethylhexyl)pyrrolidine-2,5-dione;(Z)-4-(2-ethylhexylamino)-4-oxobut-2-enoic acid
CID 160806711

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).