1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione

C11H19NO3 — CID 106146212

IUPAC1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione
SMILESCC(C)(CCCO)CN1C(=O)CCC1=O
InChIInChI=1S/C11H19NO3/c1-11(2,6-3-7-13)8-12-9(14)4-5-10(12)15/h13H,3-8H2,1-2H3
InChIKeyADPVDBIZMOKVNR-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.93
Rot. Bonds5

About 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione

1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione (PubChem CID 106146212) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione
PubChem CID106146212
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione
SMILESCC(C)(CCCO)CN1C(=O)CCC1=O
InChIInChI=1S/C11H19NO3/c1-11(2,6-3-7-13)8-12-9(14)4-5-10(12)15/h13H,3-8H2,1-2H3
InChIKeyADPVDBIZMOKVNR-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.93
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

4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione
CID 106146156
1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione
CID 139478689
3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
CID 103936481
1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one
CID 106146133
2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 106146222
1-(2-ethyl-2-hydroxybutyl)pyrrolidine-2,5-dione
CID 65118107
1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione
CID 66180583
2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 106145904
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol
CID 106146168
4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione
CID 64994662
5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
CID 106146109
1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione
CID 23083858

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione (CID 106146212) is 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione is CC(C)(CCCO)CN1C(=O)CCC1=O.
What is the InChIKey of 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione?
The InChIKey is ADPVDBIZMOKVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,6-3-7-13)8-12-9(14)4-5-10(12)15/h13H,3-8H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione?
1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106146212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).