(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate

C13H13NO5 — CID 15927737

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
SMILESO=C(OCCc1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C13H13NO5/c15-11-6-7-12(16)14(11)19-13(17)18-9-8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyAQTLIQLMUFYIQA-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.45
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate

(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate (PubChem CID 15927737) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
PubChem CID15927737
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
SMILESO=C(OCCc1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C13H13NO5/c15-11-6-7-12(16)14(11)19-13(17)18-9-8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyAQTLIQLMUFYIQA-UHFFFAOYSA-N
XLogP1.45
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.45
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

1-O-benzyl 4-O-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl] butanedioate
CID 90379430
(2,5-dioxopyrrolidin-1-yl) 2-(2-trityloxyethyldisulfanyl)ethyl carbonate
CID 58608043
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfinyl]ethyl carbonate
CID 175094231
(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate
CID 58482193
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
2-phenylethyl phenylmethoxymethyl carbonate
CID 11022486
2-cyanoethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 10632308
(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 137390827
(2,5-dioxopyrrolidin-1-yl) [(2R)-2-(phenylmethoxycarbonylamino)butyl] carbonate
CID 88793876
ethoxymethyl 2-phenylethyl carbonate
CID 24976123
bis(2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate
CID 162254315
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate (CID 15927737) is (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate is O=C(OCCc1ccccc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate?
The InChIKey is AQTLIQLMUFYIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c15-11-6-7-12(16)14(11)19-13(17)18-9-8-10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate?
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate has a molecular weight of 263.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate is sourced from PubChem (CID 15927737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).