dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate

C20H21NO7 — CID 22247185

IUPACdicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate
SMILESO=C(OC1CCCC1)c1cc2c(cc1C(=O)OC1CCCC1)C(=O)N(O)C2=O
InChIInChI=1S/C20H21NO7/c22-17-13-9-15(19(24)27-11-5-1-2-6-11)16(10-14(13)18(23)21(17)26)20(25)28-12-7-3-4-8-12/h9-12,26H,1-8H2
InChIKeyNHOROSAVNFKYJI-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.87
Rot. Bonds4

About dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate

dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate (PubChem CID 22247185) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate.

Molecular Properties

Compound Namedicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate
PubChem CID22247185
Molecular FormulaC20H21NO7
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Namedicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate
SMILESO=C(OC1CCCC1)c1cc2c(cc1C(=O)OC1CCCC1)C(=O)N(O)C2=O
InChIInChI=1S/C20H21NO7/c22-17-13-9-15(19(24)27-11-5-1-2-6-11)16(10-14(13)18(23)21(17)26)20(25)28-12-7-3-4-8-12/h9-12,26H,1-8H2
InChIKeyNHOROSAVNFKYJI-UHFFFAOYSA-N
XLogP2.87
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate?
The IUPAC name of dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate (CID 22247185) is dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate.
What is the SMILES notation for dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate?
The canonical SMILES for dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate is O=C(OC1CCCC1)c1cc2c(cc1C(=O)OC1CCCC1)C(=O)N(O)C2=O.
What is the InChIKey of dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate?
The InChIKey is NHOROSAVNFKYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7/c22-17-13-9-15(19(24)27-11-5-1-2-6-11)16(10-14(13)18(23)21(17)26)20(25)28-12-7-3-4-8-12/h9-12,26H,1-8H2.
What are the key properties of dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate?
dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate has a molecular weight of 387.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate is sourced from PubChem (CID 22247185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).