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

C10H15NO3 — CID 121483271

IUPAC1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione
SMILESCC(C)C(C(C)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-6(2)10(7(3)12)11-8(13)4-5-9(11)14/h4-7,10,12H,1-3H3
InChIKeyLHPWTRKVWTZNDG-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.32
Rot. Bonds3

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

1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione (PubChem CID 121483271) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione
PubChem CID121483271
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione
SMILESCC(C)C(C(C)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-6(2)10(7(3)12)11-8(13)4-5-9(11)14/h4-7,10,12H,1-3H3
InChIKeyLHPWTRKVWTZNDG-UHFFFAOYSA-N
XLogP0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione (CID 121483271) is 1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione is CC(C)C(C(C)O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione?
The InChIKey is LHPWTRKVWTZNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(2)10(7(3)12)11-8(13)4-5-9(11)14/h4-7,10,12H,1-3H3.
What are the key properties of 1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione?
1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 121483271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).