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

C11H17NO3 — CID 61250702

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(CO)CC(C)C)C1=O
InChIInChI=1S/C11H17NO3/c1-7(2)4-9(6-13)12-10(14)5-8(3)11(12)15/h5,7,9,13H,4,6H2,1-3H3
InChIKeyWJFOVXGPOWIALZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds4

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

1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione (PubChem CID 61250702) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione
PubChem CID61250702
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(CO)CC(C)C)C1=O
InChIInChI=1S/C11H17NO3/c1-7(2)4-9(6-13)12-10(14)5-8(3)11(12)15/h5,7,9,13H,4,6H2,1-3H3
InChIKeyWJFOVXGPOWIALZ-UHFFFAOYSA-N
XLogP0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.71
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

1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione
CID 57328063
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide
CID 135072444
1-(1-Hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
CID 61250629
1-(1-Hydroxy-3-methylbutan-2-yl)pyrrole-2,5-dione
CID 79244134
1-(1-Hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione
CID 106353542
1-(2-Hydroxy-4-methylpentan-3-yl)pyrrole-2,5-dione
CID 121483271
1-(1-Hydroxypentan-2-yl)pyrrole-2,5-dione
CID 121483280
1-(1-Hydroxy-3-methylpentan-2-yl)pyrrole-2,5-dione
CID 121483309
1-(3-Hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
CID 121483353
1-(1-Hydroxy-2-methylpentan-3-yl)pyrrole-2,5-dione
CID 121483360
1-(5-Hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
CID 121483375
1-[(2S)-1,1-dihydroxy-3-methylbutan-2-yl]-3-methylpyrrole-2,5-dione
CID 155027006

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione (CID 61250702) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(C(CO)CC(C)C)C1=O.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione?
The InChIKey is WJFOVXGPOWIALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)4-9(6-13)12-10(14)5-8(3)11(12)15/h5,7,9,13H,4,6H2,1-3H3.
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione?
1-(1-hydroxy-4-methylpentan-2-yl)-3-methylpyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 0.71, 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-methylpyrrole-2,5-dione is sourced from PubChem (CID 61250702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).