phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate

C15H9NO5 — CID 22178402

IUPACphenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C15H9NO5/c17-13-11-7-6-9(8-12(11)14(18)16(13)20)15(19)21-10-4-2-1-3-5-10/h1-8,20H
InChIKeyPEKZKLZBKPMDHZ-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.89
Rot. Bonds2

About phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate

phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate (PubChem CID 22178402) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Namephenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate
PubChem CID22178402
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Namephenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C15H9NO5/c17-13-11-7-6-9(8-12(11)14(18)16(13)20)15(19)21-10-4-2-1-3-5-10/h1-8,20H
InChIKeyPEKZKLZBKPMDHZ-UHFFFAOYSA-N
XLogP1.89
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate (CID 22178402) is phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate is O=C(Oc1ccccc1)c1ccc2c(c1)C(=O)N(O)C2=O.
What is the InChIKey of phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is PEKZKLZBKPMDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c17-13-11-7-6-9(8-12(11)14(18)16(13)20)15(19)21-10-4-2-1-3-5-10/h1-8,20H.
What are the key properties of phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate?
phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 283.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 22178402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).