1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione

C10H11N3O2 — CID 79515232

IUPAC1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione
SMILESCc1cnc(CN2CC(=O)CC2=O)cn1
InChIInChI=1S/C10H11N3O2/c1-7-3-12-8(4-11-7)5-13-6-9(14)2-10(13)15/h3-4H,2,5-6H2,1H3
InChIKeyLPCQEBCGVWKBMC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.09
Rot. Bonds2

About 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione

1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione (PubChem CID 79515232) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione
PubChem CID79515232
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione
SMILESCc1cnc(CN2CC(=O)CC2=O)cn1
InChIInChI=1S/C10H11N3O2/c1-7-3-12-8(4-11-7)5-13-6-9(14)2-10(13)15/h3-4H,2,5-6H2,1H3
InChIKeyLPCQEBCGVWKBMC-UHFFFAOYSA-N
XLogP0.09
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione (CID 79515232) is 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione is Cc1cnc(CN2CC(=O)CC2=O)cn1.
What is the InChIKey of 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione?
The InChIKey is LPCQEBCGVWKBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-3-12-8(4-11-7)5-13-6-9(14)2-10(13)15/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione?
1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 79515232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).