3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione

C13H23NO2 — CID 147895456

IUPAC3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
SMILESCCC(C)CN1C(=O)CC(C(C)CC)C1=O
InChIInChI=1S/C13H23NO2/c1-5-9(3)8-14-12(15)7-11(13(14)16)10(4)6-2/h9-11H,5-8H2,1-4H3
InChIKeyIDFHOFPHBXDNPL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.45
Rot. Bonds5

About 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione

3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione (PubChem CID 147895456) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
PubChem CID147895456
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
SMILESCCC(C)CN1C(=O)CC(C(C)CC)C1=O
InChIInChI=1S/C13H23NO2/c1-5-9(3)8-14-12(15)7-11(13(14)16)10(4)6-2/h9-11H,5-8H2,1-4H3
InChIKeyIDFHOFPHBXDNPL-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal
CID 134480146
1-(2-methylbutyl)piperidin-4-one
CID 62105123
1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione
CID 130369576
1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58021036
3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 167448063
1-chloro-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione
CID 170533493
1-chloro-3-(2-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 170533519
1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 170045082
4-[(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-oxo-6-(3-propan-2-ylpyrrolidin-1-yl)hexyl]cyclohexane-1-carboxamide
CID 145076473
3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
CID 105441620
4-(2-methylbutyl)oxane-2,6-dione
CID 90389665
3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64881374

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione (CID 147895456) is 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione is CCC(C)CN1C(=O)CC(C(C)CC)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione?
The InChIKey is IDFHOFPHBXDNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-9(3)8-14-12(15)7-11(13(14)16)10(4)6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione?
3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione has a molecular weight of 225.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 147895456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).