2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate

C12H10N2O7 — CID 18718361

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate
SMILESO=C(OCCN1C(=O)C=CC1=O)OCN1C(=O)C=CC1=O
InChIInChI=1S/C12H10N2O7/c15-8-1-2-9(16)13(8)5-6-20-12(19)21-7-14-10(17)3-4-11(14)18/h1-4H,5-7H2
InChIKeyYGBBMKMVIOUDHE-UHFFFAOYSA-N
MW294.22 g/mol
LogP-1.05
Rot. Bonds5

About 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate

2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate (PubChem CID 18718361) has the molecular formula C12H10N2O7 and a molecular weight of 294.22 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate
PubChem CID18718361
Molecular FormulaC12H10N2O7
Molecular Weight294.22 g/mol
Exact Mass294.05
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate
SMILESO=C(OCCN1C(=O)C=CC1=O)OCN1C(=O)C=CC1=O
InChIInChI=1S/C12H10N2O7/c15-8-1-2-9(16)13(8)5-6-20-12(19)21-7-14-10(17)3-4-11(14)18/h1-4H,5-7H2
InChIKeyYGBBMKMVIOUDHE-UHFFFAOYSA-N
XLogP-1.05
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 5-1.05
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(maleimidoethoxy)propane
CID 3081158
1,1'-(Oxybis(ethane-2,1-diyl))bis(1H-pyrrole-2,5-dione)
CID 14474488
1-(2,2-Dimethoxyethyl)-1h-pyrrole-2,5-dione
CID 18976538
Maleinimidoacetaldehyddiethylacetal
CID 21574810
Fumaryl oxazolidinone
CID 129827411
2-(Maleimidomethyl)-1,3-dioxane
CID 129891991
1-[2-[2-(2-Methoxyethoxymethoxy)ethoxy]ethyl]pyrrole-2,5-dione
CID 4660578
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl acetate
CID 11446725
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl ethyl carbonate
CID 17857412
2-(2,5-Dioxopyrrol-1-yl)ethyl propan-2-yl carbonate
CID 17857427
Bis[2-(2,5-dioxopyrrol-1-yl)ethyl] carbonate
CID 17857431
2-(2,5-Dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate
CID 18718362

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate (CID 18718361) is 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate is O=C(OCCN1C(=O)C=CC1=O)OCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate?
The InChIKey is YGBBMKMVIOUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O7/c15-8-1-2-9(16)13(8)5-6-20-12(19)21-7-14-10(17)3-4-11(14)18/h1-4H,5-7H2.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate?
2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate has a molecular weight of 294.22 g/mol, XLogP of -1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl (2,5-dioxopyrrol-1-yl)methyl carbonate is sourced from PubChem (CID 18718361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).