(1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate

C14H13NO4 — CID 138978589

IUPAC(1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)C1CCCC1
InChIInChI=1S/C14H13NO4/c16-12-10-7-3-4-8-11(10)13(17)15(12)19-14(18)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKeyZLUFXIZISRCDHH-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.93
Rot. Bonds2

About (1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate

(1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate (PubChem CID 138978589) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate
PubChem CID138978589
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)C1CCCC1
InChIInChI=1S/C14H13NO4/c16-12-10-7-3-4-8-11(10)13(17)15(12)19-14(18)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKeyZLUFXIZISRCDHH-UHFFFAOYSA-N
XLogP1.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dioxoisoindol-2-yl) cyclopentanecarboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate (CID 138978589) is (1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate is O=C(ON1C(=O)c2ccccc2C1=O)C1CCCC1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate?
The InChIKey is ZLUFXIZISRCDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-12-10-7-3-4-8-11(10)13(17)15(12)19-14(18)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2.
What are the key properties of (1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate?
(1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate has a molecular weight of 259.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) cyclopentanecarboxylate is sourced from PubChem (CID 138978589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).