1-(5-methylhexyl)pyrrolidine-2,3-dione

C11H19NO2 — CID 115325851

IUPAC1-(5-methylhexyl)pyrrolidine-2,3-dione
SMILESCC(C)CCCCN1CCC(=O)C1=O
InChIInChI=1S/C11H19NO2/c1-9(2)5-3-4-7-12-8-6-10(13)11(12)14/h9H,3-8H2,1-2H3
InChIKeyZKXJCWXQJPOFCA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds5

About 1-(5-methylhexyl)pyrrolidine-2,3-dione

1-(5-methylhexyl)pyrrolidine-2,3-dione (PubChem CID 115325851) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(5-methylhexyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(5-methylhexyl)pyrrolidine-2,3-dione
PubChem CID115325851
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(5-methylhexyl)pyrrolidine-2,3-dione
SMILESCC(C)CCCCN1CCC(=O)C1=O
InChIInChI=1S/C11H19NO2/c1-9(2)5-3-4-7-12-8-6-10(13)11(12)14/h9H,3-8H2,1-2H3
InChIKeyZKXJCWXQJPOFCA-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methylhexyl)imidazolidin-2-one
CID 115370813
1-(7-methyloctyl)-1,3-diazinane-2,4-dione
CID 114004462
1-methyl-3-(5-methylhexyl)imidazolidin-2-one
CID 167272324
1-(3-methylbutyl)-3-methylidenepyrrolidin-2-one
CID 53387967
3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327206
3-butan-2-yl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327141
3-bromo-1-(5-methylhexyl)pyrrolidin-2-one
CID 115326986
1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione
CID 83143865
2-(5-methylhexyl)-3H-isoindol-1-one
CID 142016970
1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole
CID 22891124
2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one
CID 115325870
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(5-methylhexyl)pyrrolidine-2,3-dione (CID 115325851) is 1-(5-methylhexyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(5-methylhexyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(5-methylhexyl)pyrrolidine-2,3-dione is CC(C)CCCCN1CCC(=O)C1=O.
What is the InChIKey of 1-(5-methylhexyl)pyrrolidine-2,3-dione?
The InChIKey is ZKXJCWXQJPOFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)5-3-4-7-12-8-6-10(13)11(12)14/h9H,3-8H2,1-2H3.
What are the key properties of 1-(5-methylhexyl)pyrrolidine-2,3-dione?
1-(5-methylhexyl)pyrrolidine-2,3-dione has a molecular weight of 197.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 115325851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).