2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione

C19H16N2O5 — CID 9322528

IUPAC2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1C1CCCC1
InChIInChI=1S/C19H16N2O5/c22-18-16-9-8-15(26-14-7-3-6-13(10-14)21(24)25)11-17(16)19(23)20(18)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2
InChIKeyFASFUUODPABDDZ-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.93
Rot. Bonds4

About 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione

2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione (PubChem CID 9322528) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione
PubChem CID9322528
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1C1CCCC1
InChIInChI=1S/C19H16N2O5/c22-18-16-9-8-15(26-14-7-3-6-13(10-14)21(24)25)11-17(16)19(23)20(18)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2
InChIKeyFASFUUODPABDDZ-UHFFFAOYSA-N
XLogP3.93
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
CID 1115477
4-nitro-2-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]phenolate
CID 7034915
2-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-5-nitroisoindole-1,3-dione
CID 1132321
2-(2,5-dimethylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
CID 5226073
2-(4-nitrophenyl)-5-[2-(4-nitrophenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 3109986
5-(4-chlorophenoxy)-2-(3-nitrophenyl)isoindole-1,3-dione
CID 1296002
2-cyclodecylisoindole-1,3-dione
CID 123786237
2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 1126520
1-(cyclohexylmethoxy)-3-nitrobenzene
CID 112800827
2-[(2S)-5-nitro-2,3-dihydro-1H-inden-2-yl]isoindole-1,3-dione
CID 95608266
2-(2-hydroxy-4-nitrophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 17296478
5-(4-nitrophenoxy)-2-pyridin-2-ylisoindole-1,3-dione
CID 1117013

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione?
The IUPAC name of 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione (CID 9322528) is 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione is O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione?
The InChIKey is FASFUUODPABDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-18-16-9-8-15(26-14-7-3-6-13(10-14)21(24)25)11-17(16)19(23)20(18)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2.
What are the key properties of 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione?
2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione has a molecular weight of 352.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(3-nitrophenoxy)isoindole-1,3-dione is sourced from PubChem (CID 9322528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).