cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium

C19H20N3O4+ — CID 54186070

IUPACcyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium
SMILESO=C1c2ccccc2C(=O)N1OO/C(N=C1CCCC1)=[NH+]/C1=CCCC1
InChIInChI=1S/C19H19N3O4/c23-17-15-11-5-6-12-16(15)18(24)22(17)26-25-19(20-13-7-1-2-8-13)21-14-9-3-4-10-14/h5-7,11-12H,1-4,8-10H2/p+1/b20-19+
InChIKeyZEWXKPOTTIMQRF-FMQUCBEESA-O
MW354.39 g/mol
LogP1.67
Rot. Bonds3

About cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium

cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium (PubChem CID 54186070) has the molecular formula C19H20N3O4+ and a molecular weight of 354.39 g/mol. Its IUPAC name is cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium.

Molecular Properties

Compound Namecyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium
PubChem CID54186070
Molecular FormulaC19H20N3O4+
Molecular Weight354.39 g/mol
Exact Mass354.14
IUPAC Namecyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium
SMILESO=C1c2ccccc2C(=O)N1OO/C(N=C1CCCC1)=[NH+]/C1=CCCC1
InChIInChI=1S/C19H19N3O4/c23-17-15-11-5-6-12-16(15)18(24)22(17)26-25-19(20-13-7-1-2-8-13)21-14-9-3-4-10-14/h5-7,11-12H,1-4,8-10H2/p+1/b20-19+
InChIKeyZEWXKPOTTIMQRF-FMQUCBEESA-O
XLogP1.67
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(1,3-dioxoisoindol-2-yl) cyclohexene-1-carboxylate
CID 154718401
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
2-hydroxyisoindole-1,3-dione
CID 66775726
(1,3-dioxoisoindol-2-yl) octaneperoxoate
CID 123775241
2-(2-cyclohexylideneethoxy)isoindole-1,3-dione
CID 24906032
(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate
CID 142436740
2-aminooxyisoindole-1,3-dione
CID 89054763
O-(1,3-dioxoisoindol-2-yl) benzenecarbothioate
CID 175000687
azane;2-hydroxyisoindole-1,3-dione
CID 67653341
CID 66974961
CID 66974961
2-(1-phenylethenoxy)isoindole-1,3-dione
CID 13332656

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium?
The IUPAC name of cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium (CID 54186070) is cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium.
What is the SMILES notation for cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium?
The canonical SMILES for cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium is O=C1c2ccccc2C(=O)N1OO/C(N=C1CCCC1)=[NH+]/C1=CCCC1.
What is the InChIKey of cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium?
The InChIKey is ZEWXKPOTTIMQRF-FMQUCBEESA-O. The full InChI is InChI=1S/C19H19N3O4/c23-17-15-11-5-6-12-16(15)18(24)22(17)26-25-19(20-13-7-1-2-8-13)21-14-9-3-4-10-14/h5-7,11-12H,1-4,8-10H2/p+1/b20-19+.
What are the key properties of cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium?
cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium has a molecular weight of 354.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(cyclopentylideneamino)-(1,3-dioxoisoindol-2-yl)peroxymethylidene]azanium is sourced from PubChem (CID 54186070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).