3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione

C15H11NO3 — CID 54682831

IUPAC3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(Cc2ccc3ccccc3c2)=C1O
InChIInChI=1S/C15H11NO3/c17-13-12(14(18)16-15(13)19)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,16,17,18,19)
InChIKeyJVAIKGXWLRXJHX-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.85
Rot. Bonds2

About 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione

3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 54682831) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione
PubChem CID54682831
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(Cc2ccc3ccccc3c2)=C1O
InChIInChI=1S/C15H11NO3/c17-13-12(14(18)16-15(13)19)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,16,17,18,19)
InChIKeyJVAIKGXWLRXJHX-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.85
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

1H-Pyrrole-2,5-dione, 3-(1,1'-biphenyl)-4-yl-4-hydroxy-
CID 54702979
5-Methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one
CID 10243322
Naphthyl-maleimide
CID 19835698
Anthracene-maleimide
CID 21841153
3-[[3-(4-Fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione
CID 129234405
3-[[4-(4-Fluorophenyl)phenyl]methyl]-4-hydroxypyrrole-2,5-dione
CID 129234525
4-Hydroxy-3-naphthalen-2-yl-1-azaspiro[4.5]dec-3-en-2-one
CID 138982916
3-(2-Methylnaphthalen-1-yl)pyrrole-2,5-dione
CID 17992502
3-Naphthalen-2-ylpyrrole-2,5-dione
CID 21654375
3-[4-(2,5-Dioxopyrrol-3-yl)naphthalen-1-yl]pyrrole-2,5-dione
CID 53877740
3-[1-(2,5-Dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione
CID 54282373
3-Benzyl-4-hydroxypyrrole-2,5-dione
CID 54712707

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione (CID 54682831) is 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione is O=C1NC(=O)C(Cc2ccc3ccccc3c2)=C1O.
What is the InChIKey of 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is JVAIKGXWLRXJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-13-12(14(18)16-15(13)19)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,16,17,18,19).
What are the key properties of 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione?
3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 253.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(naphthalen-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 54682831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).