1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione

C11H9NO3 — CID 61207525

IUPAC1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(CO)c1
InChIInChI=1S/C11H9NO3/c13-7-8-2-1-3-9(6-8)12-10(14)4-5-11(12)15/h1-6,13H,7H2
InChIKeyYVQJKPFQHQAGCP-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.61
Rot. Bonds2

About 1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione

1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione (PubChem CID 61207525) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione
PubChem CID61207525
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(CO)c1
InChIInChI=1S/C11H9NO3/c13-7-8-2-1-3-9(6-8)12-10(14)4-5-11(12)15/h1-6,13H,7H2
InChIKeyYVQJKPFQHQAGCP-UHFFFAOYSA-N
XLogP0.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.61
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-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione (CID 61207525) is 1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cccc(CO)c1.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is YVQJKPFQHQAGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-7-8-2-1-3-9(6-8)12-10(14)4-5-11(12)15/h1-6,13H,7H2.
What are the key properties of 1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione?
1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 203.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 61207525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).