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

C9H13NO3 — CID 61209446

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)(C)CO)C1=O
InChIInChI=1S/C9H13NO3/c1-6-4-7(12)10(8(6)13)9(2,3)5-11/h4,11H,5H2,1-3H3
InChIKeyOWBGDAUCQSXDKE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds2

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

1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione (PubChem CID 61209446) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione
PubChem CID61209446
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)(C)CO)C1=O
InChIInChI=1S/C9H13NO3/c1-6-4-7(12)10(8(6)13)9(2,3)5-11/h4,11H,5H2,1-3H3
InChIKeyOWBGDAUCQSXDKE-UHFFFAOYSA-N
XLogP0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.07
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-(1-(hydroxymethyl)cyclopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 116348788
1-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione
CID 57328063
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376
1-(1-Hydroxy-2-methylpropan-2-yl)pyrrole-2,5-dione
CID 22114711
1-(1,2-Dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione
CID 22403508
3-Methyl-1-(1,1,1-trihydroxy-2-methylpropan-2-yl)pyrrole-2,5-dione
CID 22403521
1-[3-(Hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione
CID 62520538
1-(1-Hydroxy-2-methylbutan-2-yl)pyrrole-2,5-dione
CID 64558401
1-(3-Hydroxy-2-methylbutan-2-yl)pyrrole-2,5-dione
CID 116359206
(E)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbut-2-enamide
CID 117662388
1-(1-Hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione
CID 121483285
3-Ethenyl-1-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrrole-2,5-dione
CID 123713064

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione (CID 61209446) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(C(C)(C)CO)C1=O.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione?
The InChIKey is OWBGDAUCQSXDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-4-7(12)10(8(6)13)9(2,3)5-11/h4,11H,5H2,1-3H3.
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione?
1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 61209446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).