3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione

C11H9NO3 — CID 139805890

IUPAC3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=C(Cc2cccc(O)c2)C(=O)N1
InChIInChI=1S/C11H9NO3/c13-9-3-1-2-7(5-9)4-8-6-10(14)12-11(8)15/h1-3,5-6,13H,4H2,(H,12,14,15)
InChIKeyGKDFGJXNPOHHOY-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.52
Rot. Bonds2

About 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione

3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 139805890) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID139805890
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=C(Cc2cccc(O)c2)C(=O)N1
InChIInChI=1S/C11H9NO3/c13-9-3-1-2-7(5-9)4-8-6-10(14)12-11(8)15/h1-3,5-6,13H,4H2,(H,12,14,15)
InChIKeyGKDFGJXNPOHHOY-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 21321439
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5-[(3-hydroxyphenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83956134
5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093007
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3-[(4-propylphenyl)methyl]phenol
CID 67607655
4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione
CID 66085297
3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one
CID 91417232
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione (CID 139805890) is 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione is O=C1C=C(Cc2cccc(O)c2)C(=O)N1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is GKDFGJXNPOHHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-9-3-1-2-7(5-9)4-8-6-10(14)12-11(8)15/h1-3,5-6,13H,4H2,(H,12,14,15).
What are the key properties of 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione?
3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 203.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 139805890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).