bis(1,3-dioxoisoindol-2-yl) carbonate

C17H8N2O7 — CID 12876455

IUPACbis(1,3-dioxoisoindol-2-yl) carbonate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H8N2O7/c20-13-9-5-1-2-6-10(9)14(21)18(13)25-17(24)26-19-15(22)11-7-3-4-8-12(11)16(19)23/h1-8H
InChIKeyWJGZNDSCBQIDMQ-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.56
Rot. Bonds2

About bis(1,3-dioxoisoindol-2-yl) carbonate

bis(1,3-dioxoisoindol-2-yl) carbonate (PubChem CID 12876455) has the molecular formula C17H8N2O7 and a molecular weight of 352.26 g/mol. Its IUPAC name is bis(1,3-dioxoisoindol-2-yl) carbonate.

Molecular Properties

Compound Namebis(1,3-dioxoisoindol-2-yl) carbonate
PubChem CID12876455
Molecular FormulaC17H8N2O7
Molecular Weight352.26 g/mol
Exact Mass352.03
IUPAC Namebis(1,3-dioxoisoindol-2-yl) carbonate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H8N2O7/c20-13-9-5-1-2-6-10(9)14(21)18(13)25-17(24)26-19-15(22)11-7-3-4-8-12(11)16(19)23/h1-8H
InChIKeyWJGZNDSCBQIDMQ-UHFFFAOYSA-N
XLogP1.56
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
O-(1,3-dioxoisoindol-2-yl) benzenecarbothioate
CID 175000687
2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium
CID 170920036
(1,3-dioxoisoindol-2-yl) 2-bromobenzoate
CID 132508616
2-(1-phenylethenoxy)isoindole-1,3-dione
CID 13332656
(1,3-dioxoisoindol-2-yl) 3-chloro-2,2-dimethylpropanoate
CID 164510784
(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate
CID 154719363
(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate
CID 162341549
(1,3-dioxoisoindol-2-yl) 4-formylbenzoate
CID 155905846
(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate
CID 142436740
2-aminooxyisoindole-1,3-dione
CID 89054763
(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 176989880

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dioxoisoindol-2-yl) carbonate?
The IUPAC name of bis(1,3-dioxoisoindol-2-yl) carbonate (CID 12876455) is bis(1,3-dioxoisoindol-2-yl) carbonate.
What is the SMILES notation for bis(1,3-dioxoisoindol-2-yl) carbonate?
The canonical SMILES for bis(1,3-dioxoisoindol-2-yl) carbonate is O=C(ON1C(=O)c2ccccc2C1=O)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of bis(1,3-dioxoisoindol-2-yl) carbonate?
The InChIKey is WJGZNDSCBQIDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8N2O7/c20-13-9-5-1-2-6-10(9)14(21)18(13)25-17(24)26-19-15(22)11-7-3-4-8-12(11)16(19)23/h1-8H.
What are the key properties of bis(1,3-dioxoisoindol-2-yl) carbonate?
bis(1,3-dioxoisoindol-2-yl) carbonate has a molecular weight of 352.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dioxoisoindol-2-yl) carbonate is sourced from PubChem (CID 12876455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).