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

C10H15NO3 — CID 61250629

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
SMILESCC(C)CC(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-7(2)5-8(6-12)11-9(13)3-4-10(11)14/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyBGZBQSCWACVROJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.32
Rot. Bonds4

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

1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione (PubChem CID 61250629) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
PubChem CID61250629
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
SMILESCC(C)CC(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-7(2)5-8(6-12)11-9(13)3-4-10(11)14/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyBGZBQSCWACVROJ-UHFFFAOYSA-N
XLogP0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.32
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)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione (CID 61250629) is 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione is CC(C)CC(CO)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione?
The InChIKey is BGZBQSCWACVROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)5-8(6-12)11-9(13)3-4-10(11)14/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione?
1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.32, 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)pyrrole-2,5-dione is sourced from PubChem (CID 61250629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).