1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione

C9H15NO3 — CID 64558407

IUPAC1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(C)(CO)N1C(=O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-3-9(2,6-11)10-7(12)4-5-8(10)13/h11H,3-6H2,1-2H3
InChIKeyJTRCDXMLFKPBAM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.30
Rot. Bonds3

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

1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione (PubChem CID 64558407) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione
PubChem CID64558407
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(C)(CO)N1C(=O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-3-9(2,6-11)10-7(12)4-5-8(10)13/h11H,3-6H2,1-2H3
InChIKeyJTRCDXMLFKPBAM-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
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-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione (CID 64558407) is 1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione is CCC(C)(CO)N1C(=O)CCC1=O.
What is the InChIKey of 1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is JTRCDXMLFKPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-9(2,6-11)10-7(12)4-5-8(10)13/h11H,3-6H2,1-2H3.
What are the key properties of 1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione?
1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 185.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 64558407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).