1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione

C14H25NO3 — CID 118459071

IUPAC1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)CCOCCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C14H25NO3/c1-10(2)5-7-18-8-6-15-13(16)9-12(11(3)4)14(15)17/h10-12H,5-9H2,1-4H3
InChIKeyWCNKSIZUVAXXEX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.08
Rot. Bonds7

About 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione

1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 118459071) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID118459071
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)CCOCCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C14H25NO3/c1-10(2)5-7-18-8-6-15-13(16)9-12(11(3)4)14(15)17/h10-12H,5-9H2,1-4H3
InChIKeyWCNKSIZUVAXXEX-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 170045082
1-[6-(3-methylbutoxy)-4-oxohexyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 157219213
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide
CID 153317713
ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 176682927
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252
3-tert-butyl-1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;3-tert-butyl-1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;3-tert-butyl-1-[[1-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;3-tert-butyl-1-[[1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;3-tert-butyl-1-[[1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 157221682
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58021036
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide
CID 146319764
ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 170724271
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide
CID 164603096
6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2-propan-2-ylhexanal
CID 140661114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 118459071) is 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)CCOCCN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is WCNKSIZUVAXXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)5-7-18-8-6-15-13(16)9-12(11(3)4)14(15)17/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 255.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 118459071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).