1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione

C11H10N2O3 — CID 57298615

IUPAC1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1N(CO)c1ccccc1
InChIInChI=1S/C11H10N2O3/c14-8-12(9-4-2-1-3-5-9)13-10(15)6-7-11(13)16/h1-7,14H,8H2
InChIKeyRLUYUSYLWONIOZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.28
Rot. Bonds3

About 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione

1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione (PubChem CID 57298615) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione
PubChem CID57298615
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1N(CO)c1ccccc1
InChIInChI=1S/C11H10N2O3/c14-8-12(9-4-2-1-3-5-9)13-10(15)6-7-11(13)16/h1-7,14H,8H2
InChIKeyRLUYUSYLWONIOZ-UHFFFAOYSA-N
XLogP0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione (CID 57298615) is 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione is O=C1C=CC(=O)N1N(CO)c1ccccc1.
What is the InChIKey of 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione?
The InChIKey is RLUYUSYLWONIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-8-12(9-4-2-1-3-5-9)13-10(15)6-7-11(13)16/h1-7,14H,8H2.
What are the key properties of 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione?
1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione has a molecular weight of 218.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(hydroxymethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 57298615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).