(2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate

C12H10BrNO5 — CID 598169

IUPAC(2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCc1ccccc1Br)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10BrNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2
InChIKeySZDNRTVADOCWKU-UHFFFAOYSA-N
MW328.12 g/mol
LogP2.17
Rot. Bonds3

About (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate

(2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 598169) has the molecular formula C12H10BrNO5 and a molecular weight of 328.12 g/mol. Its IUPAC name is (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name(2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID598169
Molecular FormulaC12H10BrNO5
Molecular Weight328.12 g/mol
Exact Mass326.97
IUPAC Name(2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCc1ccccc1Br)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10BrNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2
InChIKeySZDNRTVADOCWKU-UHFFFAOYSA-N
XLogP2.17
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Benzyl succinimido carbonate
CID 83172
N-(2'-bromobezyloxy)-2-azaspiro[4.4]nonane-1,3-dione
CID 15657792
(2,5-Dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate
CID 15927739
(2,5-Dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate
CID 22135555
2,5-Dioxo-1-pyrrolidinyl (4-fluorophenyl)methyl carbonate
CID 85784326
(2,5-Dioxopyrrolidin-1-yl) (3-fluorophenyl)methyl carbonate
CID 89648869
(2,3-Difluorophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118387303
(2,5-Dioxopyrrolidin-1-yl) 2-bromobenzoate
CID 3091442
o-Benzyloxycarbonyl-n-hydroxysuccinimide
CID 91699452
2,5-Dioxopyrrolidin-1-yl (4-methylbenzyl) carbonate
CID 11139951
(2,5-Dioxopyrrolidin-1-yl) (2-methylphenyl)methyl carbonate
CID 15927738
(2,5-Dioxopyrrolidin-1-yl) 3-phenylmethoxypropyl carbonate
CID 21754796

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate (CID 598169) is (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate is O=C(OCc1ccccc1Br)ON1C(=O)CCC1=O.
What is the InChIKey of (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is SZDNRTVADOCWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2.
What are the key properties of (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
(2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 328.12 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 598169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).