4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one

C9H9N3O — CID 101428669

IUPAC4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one
SMILESC=C1CC(=O)N(c2cnccn2)C1
InChIInChI=1S/C9H9N3O/c1-7-4-9(13)12(6-7)8-5-10-2-3-11-8/h2-3,5H,1,4,6H2
InChIKeyOPQWQGHDAJBZSD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.77
Rot. Bonds1

About 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one

4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one (PubChem CID 101428669) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one
PubChem CID101428669
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one
SMILESC=C1CC(=O)N(c2cnccn2)C1
InChIInChI=1S/C9H9N3O/c1-7-4-9(13)12(6-7)8-5-10-2-3-11-8/h2-3,5H,1,4,6H2
InChIKeyOPQWQGHDAJBZSD-UHFFFAOYSA-N
XLogP0.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
CID 28875657
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
2-(1,3-dihydro-1,2,4-triazol-2-yl)pyrazine
CID 142798421
5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one
CID 112731800
CID 58036666
CID 58036666
6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
CID 81042683
6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one
CID 20590202
4-pyrazin-2-ylthiomorpholine
CID 131156249
2-(4-iodopiperazin-1-yl)pyrazine
CID 143021662
2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-2-oxoacetic acid
CID 138523406
3-methyl-1-pyrazin-2-ylpyrrole-2,5-dione
CID 43616090

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one?
The IUPAC name of 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one (CID 101428669) is 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one is C=C1CC(=O)N(c2cnccn2)C1.
What is the InChIKey of 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one?
The InChIKey is OPQWQGHDAJBZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7-4-9(13)12(6-7)8-5-10-2-3-11-8/h2-3,5H,1,4,6H2.
What are the key properties of 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one?
4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-pyrazin-2-ylpyrrolidin-2-one is sourced from PubChem (CID 101428669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).