(2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate

C10H11NO6S — CID 140966747

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate
SMILESC=CS(=O)(=O)CC(=C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11NO6S/c1-3-18(15,16)6-7(2)10(14)17-11-8(12)4-5-9(11)13/h3H,1-2,4-6H2
InChIKeyFWVQCJVLHGWREG-UHFFFAOYSA-N
MW273.27 g/mol
LogP-0.29
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate

(2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate (PubChem CID 140966747) has the molecular formula C10H11NO6S and a molecular weight of 273.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate
PubChem CID140966747
Molecular FormulaC10H11NO6S
Molecular Weight273.27 g/mol
Exact Mass273.03
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate
SMILESC=CS(=O)(=O)CC(=C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11NO6S/c1-3-18(15,16)6-7(2)10(14)17-11-8(12)4-5-9(11)13/h3H,1-2,4-6H2
InChIKeyFWVQCJVLHGWREG-UHFFFAOYSA-N
XLogP-0.29
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate 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

bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate
CID 10131928
(2,5-dioxopyrrolidin-1-yl) 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
CID 140966749
(2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate
CID 118491575
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
CID 174926925
2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate
CID 175504057
(2,5-dioxopyrrolidin-1-yl) 4-[(ethenylsulfonylamino)methyl]benzoate
CID 101232198
(2,5-dioxopyrrolidin-1-yl) hept-6-enoate
CID 118510926
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate (CID 140966747) is (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate is C=CS(=O)(=O)CC(=C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate?
The InChIKey is FWVQCJVLHGWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6S/c1-3-18(15,16)6-7(2)10(14)17-11-8(12)4-5-9(11)13/h3H,1-2,4-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate?
(2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate has a molecular weight of 273.27 g/mol, XLogP of -0.29, 5 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) 2-(ethenylsulfonylmethyl)prop-2-enoate is sourced from PubChem (CID 140966747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).