5-phenacyl-2,3-dihydro-1H-pyrazin-6-one

C12H12N2O2 — CID 611955

IUPAC5-phenacyl-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1CC(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11(9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h1-5H,6-8H2,(H,14,16)
InChIKeyRRWPHOVAKCTEFC-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.83
Rot. Bonds3

About 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one

5-phenacyl-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 611955) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-phenacyl-2,3-dihydro-1H-pyrazin-6-one
PubChem CID611955
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-phenacyl-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1CC(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11(9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h1-5H,6-8H2,(H,14,16)
InChIKeyRRWPHOVAKCTEFC-UHFFFAOYSA-N
XLogP0.83
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one (CID 611955) is 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one is O=C1NCCN=C1CC(=O)c1ccccc1.
What is the InChIKey of 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is RRWPHOVAKCTEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11(9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h1-5H,6-8H2,(H,14,16).
What are the key properties of 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one?
5-phenacyl-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 216.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenacyl-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 611955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).