1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione

C10H17NO3 — CID 127013554

IUPAC1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione
SMILESCCC(N1C(=O)CCC1=O)C(C)(C)O
InChIInChI=1S/C10H17NO3/c1-4-7(10(2,3)14)11-8(12)5-6-9(11)13/h7,14H,4-6H2,1-3H3
InChIKeyIBXDCNWLIHTCFY-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.68
Rot. Bonds3

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

1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione (PubChem CID 127013554) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione
PubChem CID127013554
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione
SMILESCCC(N1C(=O)CCC1=O)C(C)(C)O
InChIInChI=1S/C10H17NO3/c1-4-7(10(2,3)14)11-8(12)5-6-9(11)13/h7,14H,4-6H2,1-3H3
InChIKeyIBXDCNWLIHTCFY-UHFFFAOYSA-N
XLogP0.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.68
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

3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione
CID 130949581
1-(1-aminopropyl)pyrrolidine-2,5-dione
CID 155092296
2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
CID 173433095
1-(3-methylpentan-2-yl)pyrrolidine-2,5-dione
CID 126487377
1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione
CID 130129765
1-(2-ethyl-2-hydroxybutyl)pyrrolidine-2,5-dione
CID 65118107
1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione
CID 66180583
2-[bis(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylpropanedioic acid
CID 118208289
5-methylidene-1-pentan-3-ylpyrrolidin-2-one
CID 89100562
(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)butanoate
CID 164785156
1-(3-hydroxypentan-2-yl)piperidine-2,6-dione
CID 130893283
1-pent-1-yn-3-ylazepane-2,7-dione
CID 106226536

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione (CID 127013554) is 1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione is CCC(N1C(=O)CCC1=O)C(C)(C)O.
What is the InChIKey of 1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione?
The InChIKey is IBXDCNWLIHTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-7(10(2,3)14)11-8(12)5-6-9(11)13/h7,14H,4-6H2,1-3H3.
What are the key properties of 1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione?
1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 127013554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).