1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione

C10H17NO3 — CID 58590239

IUPAC1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)N(CCO)C(=O)C1(C)C
InChIInChI=1S/C10H17NO3/c1-9(2)7(13)11(5-6-12)8(14)10(9,3)4/h12H,5-6H2,1-4H3
InChIKeyAJGNNXLVZLPVFH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.40
Rot. Bonds2

About 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione

1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione (PubChem CID 58590239) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione
PubChem CID58590239
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)N(CCO)C(=O)C1(C)C
InChIInChI=1S/C10H17NO3/c1-9(2)7(13)11(5-6-12)8(14)10(9,3)4/h12H,5-6H2,1-4H3
InChIKeyAJGNNXLVZLPVFH-UHFFFAOYSA-N
XLogP0.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione (CID 58590239) is 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione is CC1(C)C(=O)N(CCO)C(=O)C1(C)C.
What is the InChIKey of 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione?
The InChIKey is AJGNNXLVZLPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-9(2)7(13)11(5-6-12)8(14)10(9,3)4/h12H,5-6H2,1-4H3.
What are the key properties of 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione?
1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione is sourced from PubChem (CID 58590239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).