1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione

C11H19NO3 — CID 61250849

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC(C)CC(CO)N1C(=O)CC(C)C1=O
InChIInChI=1S/C11H19NO3/c1-7(2)4-9(6-13)12-10(14)5-8(3)11(12)15/h7-9,13H,4-6H2,1-3H3
InChIKeyBZYDPKVTCKKHQN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.79
Rot. Bonds4

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione

1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione (PubChem CID 61250849) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione
PubChem CID61250849
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC(C)CC(CO)N1C(=O)CC(C)C1=O
InChIInChI=1S/C11H19NO3/c1-7(2)4-9(6-13)12-10(14)5-8(3)11(12)15/h7-9,13H,4-6H2,1-3H3
InChIKeyBZYDPKVTCKKHQN-UHFFFAOYSA-N
XLogP0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.79
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-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione (CID 61250849) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione is CC(C)CC(CO)N1C(=O)CC(C)C1=O.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is BZYDPKVTCKKHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)4-9(6-13)12-10(14)5-8(3)11(12)15/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione?
1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61250849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).