6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

C10H10N2O2S — CID 19100802

IUPAC6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESC/C=C/c1c(C)sc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C10H10N2O2S/c1-3-4-6-5(2)15-10-7(6)11-8(13)9(14)12-10/h3-4H,1-2H3,(H,11,13)(H,12,14)/b4-3+
InChIKeyCZDJCAMQUKVNPJ-ONEGZZNKSA-N
MW222.27 g/mol
LogP1.62
Rot. Bonds1

About 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (PubChem CID 19100802) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
PubChem CID19100802
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESC/C=C/c1c(C)sc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C10H10N2O2S/c1-3-4-6-5(2)15-10-7(6)11-8(13)9(14)12-10/h3-4H,1-2H3,(H,11,13)(H,12,14)/b4-3+
InChIKeyCZDJCAMQUKVNPJ-ONEGZZNKSA-N
XLogP1.62
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (CID 19100802) is 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is C/C=C/c1c(C)sc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The InChIKey is CZDJCAMQUKVNPJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-3-4-6-5(2)15-10-7(6)11-8(13)9(14)12-10/h3-4H,1-2H3,(H,11,13)(H,12,14)/b4-3+.
What are the key properties of 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione has a molecular weight of 222.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 19100802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).