1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione

C14H9NO3 — CID 166071078

IUPAC1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(O)ccc2ccccc12
InChIInChI=1S/C14H9NO3/c16-11-6-5-9-3-1-2-4-10(9)14(11)15-12(17)7-8-13(15)18/h1-8,16H
InChIKeyJQZRGDCPOSVPIF-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.97
Rot. Bonds1

About 1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione

1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione (PubChem CID 166071078) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione
PubChem CID166071078
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c(O)ccc2ccccc12
InChIInChI=1S/C14H9NO3/c16-11-6-5-9-3-1-2-4-10(9)14(11)15-12(17)7-8-13(15)18/h1-8,16H
InChIKeyJQZRGDCPOSVPIF-UHFFFAOYSA-N
XLogP1.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.97
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-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione (CID 166071078) is 1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione?
The InChIKey is JQZRGDCPOSVPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-11-6-5-9-3-1-2-4-10(9)14(11)15-12(17)7-8-13(15)18/h1-8,16H.
What are the key properties of 1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione?
1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione has a molecular weight of 239.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynaphthalen-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 166071078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).