(2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate

C11H10N2O4S2 — CID 18401245

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate
SMILESO=C(Cc1ccnc(SS)c1)ON1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O4S2/c14-9-1-2-10(15)13(9)17-11(16)6-7-3-4-12-8(5-7)19-18/h3-5,18H,1-2,6H2
InChIKeyRVZRBQJJKLKNKV-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.17
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate (PubChem CID 18401245) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate
PubChem CID18401245
Molecular FormulaC11H10N2O4S2
Molecular Weight298.34 g/mol
Exact Mass298.01
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate
SMILESO=C(Cc1ccnc(SS)c1)ON1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O4S2/c14-9-1-2-10(15)13(9)17-11(16)6-7-3-4-12-8(5-7)19-18/h3-5,18H,1-2,6H2
InChIKeyRVZRBQJJKLKNKV-UHFFFAOYSA-N
XLogP1.17
TPSA76.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate (CID 18401245) is (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate is O=C(Cc1ccnc(SS)c1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate?
The InChIKey is RVZRBQJJKLKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-9-1-2-10(15)13(9)17-11(16)6-7-3-4-12-8(5-7)19-18/h3-5,18H,1-2,6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate has a molecular weight of 298.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-(disulfanyl)-4-pyridinyl]acetate is sourced from PubChem (CID 18401245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).