(2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate

C10H8N2O5 — CID 87409322

IUPAC(2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate
SMILESO=C(Oc1cccnc1)ON1C(=O)CCC1=O
InChIInChI=1S/C10H8N2O5/c13-8-3-4-9(14)12(8)17-10(15)16-7-2-1-5-11-6-7/h1-2,5-6H,3-4H2
InChIKeyFHTCARZUCPMSJG-UHFFFAOYSA-N
MW236.18 g/mol
LogP0.66
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate

(2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate (PubChem CID 87409322) has the molecular formula C10H8N2O5 and a molecular weight of 236.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate
PubChem CID87409322
Molecular FormulaC10H8N2O5
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate
SMILESO=C(Oc1cccnc1)ON1C(=O)CCC1=O
InChIInChI=1S/C10H8N2O5/c13-8-3-4-9(14)12(8)17-10(15)16-7-2-1-5-11-6-7/h1-2,5-6H,3-4H2
InChIKeyFHTCARZUCPMSJG-UHFFFAOYSA-N
XLogP0.66
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) (2,3,4,5,6-13C5)pyridine-3-carboxylate
CID 71308877
pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate
CID 87668895
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
(2,5-dioxopyrrolidin-1-yl) 3-bromopyridine-2-carboxylate
CID 172647201
(2,5-dioxopyrrolidin-1-yl) isoquinoline-5-carboxylate
CID 122221270
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
1-(2-pyridin-3-yloxyethyl)pyrrolidine-2,5-dione
CID 143380588
pyridin-3-yl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125989
pyridin-3-yl cyclohexanecarboxylate
CID 151250371
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
2-(2,5-dioxopyrrolidin-1-yl)-2-pyridin-3-ylpropanoic acid
CID 114989812

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate (CID 87409322) is (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate is O=C(Oc1cccnc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate?
The InChIKey is FHTCARZUCPMSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5/c13-8-3-4-9(14)12(8)17-10(15)16-7-2-1-5-11-6-7/h1-2,5-6H,3-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate?
(2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate has a molecular weight of 236.18 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate is sourced from PubChem (CID 87409322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).