3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione

C20H33NO3 — CID 123851915

IUPAC3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione
SMILESCC(=O)C1C(=O)C(CC(C)C)N(CCC(C)CCC=C(C)C)C1=O
InChIInChI=1S/C20H33NO3/c1-13(2)8-7-9-15(5)10-11-21-17(12-14(3)4)19(23)18(16(6)22)20(21)24/h8,14-15,17-18H,7,9-12H2,1-6H3
InChIKeyQINLUCXLDBIVNZ-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.79
Rot. Bonds9

About 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione

3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione (PubChem CID 123851915) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione
PubChem CID123851915
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione
SMILESCC(=O)C1C(=O)C(CC(C)C)N(CCC(C)CCC=C(C)C)C1=O
InChIInChI=1S/C20H33NO3/c1-13(2)8-7-9-15(5)10-11-21-17(12-14(3)4)19(23)18(16(6)22)20(21)24/h8,14-15,17-18H,7,9-12H2,1-6H3
InChIKeyQINLUCXLDBIVNZ-UHFFFAOYSA-N
XLogP3.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 10154841
7,9-Dimethyl-6-hexadecenoic acid pyrrolidide
CID 73835834
(1S,5S)-2-tert-butyl-6-ethenyl-7-hexyl-2-azabicyclo[3.2.0]hept-6-ene-3,4-dione
CID 135061352
3-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
CID 139214242
5-[(E)-4,4-difluoro-3-methyldec-1-enyl]-1-(7-oxooctyl)pyrrolidin-2-one
CID 154515612
(3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 165360193
(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
CID 10514913
1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 11289782
3-(3-Cyclododecylprop-2-enoyl)-1-methylpyrrolidine-2,4-dione
CID 57109912
1-(11-Methylpentacos-11-en-10-yl)pyrrolidine-2,3-dione
CID 68106116
1-(7-Methyltricos-6-en-8-yl)pyrrolidine-2,3-dione
CID 68720848
1-(5-Methylnonadec-5-en-4-yl)pyrrolidine-2,3-dione
CID 68720899

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The IUPAC name of 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione (CID 123851915) is 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The canonical SMILES for 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione is CC(=O)C1C(=O)C(CC(C)C)N(CCC(C)CCC=C(C)C)C1=O.
What is the InChIKey of 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The InChIKey is QINLUCXLDBIVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-13(2)8-7-9-15(5)10-11-21-17(12-14(3)4)19(23)18(16(6)22)20(21)24/h8,14-15,17-18H,7,9-12H2,1-6H3.
What are the key properties of 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione?
3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione has a molecular weight of 335.49 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 123851915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).