1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione

C9H15NO3 — CID 86041971

IUPAC1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)(CO)CN1C(=O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-9(2,6-11)5-10-7(12)3-4-8(10)13/h11H,3-6H2,1-2H3
InChIKeyVZNWJOWJKQQAGO-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.15
Rot. Bonds3

About 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione

1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione (PubChem CID 86041971) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione
PubChem CID86041971
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)(CO)CN1C(=O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-9(2,6-11)5-10-7(12)3-4-8(10)13/h11H,3-6H2,1-2H3
InChIKeyVZNWJOWJKQQAGO-UHFFFAOYSA-N
XLogP0.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.15
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-(3-Hydroxypropyl)pyrrolidin-2-one
CID 566744
Nsc226270
CID 313147
1-(2-Fluoro-3-hydroxypropyl)pyrrolidine-2,5-dione
CID 130128752
1-(1-Hydroxyethyl)pyrrolidin-2-one
CID 13797250
1-(3-Hydroxy-3-methylbutyl)pyrrolidine-2,5-dione
CID 79360037
1-(2,2-Difluoro-3-hydroxypropyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 106172524
1-(2,2-Difluoro-3-hydroxypropyl)-3-methylpyrrolidine-2,5-dione
CID 106172554
1-(2,2-Difluoro-3-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 106172558
1-(3-Hydroxy-3-trimethylsilylpropyl)pyrrolidine-2,5-dione
CID 10704603
1-(3-Methoxypropyl)pyrrolidine-2,5-dione
CID 12201130
1-(1-Hydroxybutyl)pyrrolidin-2-one
CID 18006239
EtOH NMP
CID 18313719

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione (CID 86041971) is 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione is CC(C)(CO)CN1C(=O)CCC1=O.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione?
The InChIKey is VZNWJOWJKQQAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,6-11)5-10-7(12)3-4-8(10)13/h11H,3-6H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione?
1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione has a molecular weight of 185.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 86041971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).