1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione

C11H17NO3 — CID 79245720

IUPAC1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N([C@@H](CO)C(C)C)C1=O
InChIInChI=1S/C11H17NO3/c1-6(2)9(5-13)12-10(14)7(3)8(4)11(12)15/h6,9,13H,5H2,1-4H3/t9-/m0/s1
InChIKeyUDWYFWVUWHUVNU-VIFPVBQESA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds3

About 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione

1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 79245720) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID79245720
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N([C@@H](CO)C(C)C)C1=O
InChIInChI=1S/C11H17NO3/c1-6(2)9(5-13)12-10(14)7(3)8(4)11(12)15/h6,9,13H,5H2,1-4H3/t9-/m0/s1
InChIKeyUDWYFWVUWHUVNU-VIFPVBQESA-N
XLogP0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methylisoindole-1,3-dione
CID 79244817
1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione
CID 79244368
2-(1-hydroxy-3-methylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 73110572
3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690137
1-(1-hydroxy-3-methoxypropan-2-yl)-3,4-dimethylpyrrole-2,5-dione
CID 106187036
1-[1-(2-hydroxyethoxy)ethyl]-3,4-dimethylpyrrole-2,5-dione
CID 70418735
2-(1-hydroxy-3-methylbutan-2-yl)-4H-isoquinoline-1,3-dione
CID 79244253
3,4-dimethyl-1-pentan-2-ylpyrrole-2,5-dione
CID 90931087
2-(1-hydroxy-3-methylbutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 79244706
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
CID 107861517
(2S)-3-methyl-2-[(4S)-3-methyl-4-propan-2-yl-4,5-dihydroimidazol-3-ium-1-yl]butan-1-ol
CID 102230967
5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione
CID 106353552

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione (CID 79245720) is 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N([C@@H](CO)C(C)C)C1=O.
What is the InChIKey of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is UDWYFWVUWHUVNU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO3/c1-6(2)9(5-13)12-10(14)7(3)8(4)11(12)15/h6,9,13H,5H2,1-4H3/t9-/m0/s1.
What are the key properties of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 79245720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).