6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one

C10H9N3O2S — CID 122186465

IUPAC6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one
SMILESCN1C(=O)/C(=C\c2cccc(=O)[nH]2)NC1=S
InChIInChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)5-6-3-2-4-8(14)11-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-5+
InChIKeyLTPBXVQAIBRGIS-FNORWQNLSA-N
MW235.27 g/mol
LogP0.06
Rot. Bonds1

About 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one

6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one (PubChem CID 122186465) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one
PubChem CID122186465
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one
SMILESCN1C(=O)/C(=C\c2cccc(=O)[nH]2)NC1=S
InChIInChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)5-6-3-2-4-8(14)11-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-5+
InChIKeyLTPBXVQAIBRGIS-FNORWQNLSA-N
XLogP0.06
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one (CID 122186465) is 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one is CN1C(=O)/C(=C\c2cccc(=O)[nH]2)NC1=S.
What is the InChIKey of 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one?
The InChIKey is LTPBXVQAIBRGIS-FNORWQNLSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)5-6-3-2-4-8(14)11-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-5+.
What are the key properties of 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one?
6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one has a molecular weight of 235.27 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 122186465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).