3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione

C12H21NO3 — CID 61207899

IUPAC3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(CO)N1C(=O)CC(CC)(CC)C1=O
InChIInChI=1S/C12H21NO3/c1-4-9(8-14)13-10(15)7-12(5-2,6-3)11(13)16/h9,14H,4-8H2,1-3H3
InChIKeyOYKDTXPJDYFORT-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.32
Rot. Bonds5

About 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione

3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione (PubChem CID 61207899) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione
PubChem CID61207899
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(CO)N1C(=O)CC(CC)(CC)C1=O
InChIInChI=1S/C12H21NO3/c1-4-9(8-14)13-10(15)7-12(5-2,6-3)11(13)16/h9,14H,4-8H2,1-3H3
InChIKeyOYKDTXPJDYFORT-UHFFFAOYSA-N
XLogP1.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxybutyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
CID 121515499
1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione
CID 11137821
1-[(2S)-1-hydroxypentan-2-yl]pyrrolidine-2,5-dione
CID 134877095
2-(2-Hydroxyethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 14690766
3-Ethyl-1-(4-hydroxybutyl)-3-methylpyrrolidine-2,5-dione
CID 56981015
1-(5-Hydroxypentyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 57186094
3-Ethyl-1-(3-hydroxypropyl)-3-methylpyrrolidine-2,5-dione
CID 57194318
3-Ethyl-1-(2-hydroxyethyl)-3-methyl-2,5-pyrrolidinedione
CID 57196845
3-Ethyl-1-(5-hydroxypentyl)-3-methylpyrrolidine-2,5-dione
CID 57272155
3-Ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione
CID 57319175
1-(2-Hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione
CID 58590239
(3S)-1-[(2S)-1-hydroxypropan-2-yl]-3-methylpyrrolidine-2,5-dione
CID 58743054

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione (CID 61207899) is 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione is CCC(CO)N1C(=O)CC(CC)(CC)C1=O.
What is the InChIKey of 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is OYKDTXPJDYFORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-9(8-14)13-10(15)7-12(5-2,6-3)11(13)16/h9,14H,4-8H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione?
3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 227.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 61207899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).