5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione

C12H12N2O2 — CID 166951494

IUPAC5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c15-11-12(16)14-10(8-13-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H,14,16)
InChIKeyCJCXCSGHGORMDF-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.85
Rot. Bonds3

About 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione

5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione (PubChem CID 166951494) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione
PubChem CID166951494
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c15-11-12(16)14-10(8-13-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H,14,16)
InChIKeyCJCXCSGHGORMDF-UHFFFAOYSA-N
XLogP0.85
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclo(-Gly-Phe)
CID 7076549
5-(Phenethylamino)uracil
CID 309182
Leucyl-phenylalanine amide
CID 3082491
Phenylalanylphenylalanylamide
CID 85169
(D)-Phe-(D)-Phe-NH2
CID 7037588
(L)-Phe-(D)-Phe-NH2
CID 7088460
N-acetyl-phenylalanyl-glycine-nitrile
CID 11086036
NMDA receptor modulator 2
CID 163359807
(D)-Phe-(L)-Phe-NH2
CID 7088456
3-(Benzylamino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 454349
compound 3d (PMID: 3941405)
CID 11241135
2-Acetylamino-N-cyanomethyl-3-phenyl-propionamide
CID 44268371

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione (CID 166951494) is 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione is O=c1[nH]cc(CCc2ccccc2)[nH]c1=O.
What is the InChIKey of 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione?
The InChIKey is CJCXCSGHGORMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11-12(16)14-10(8-13-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H,14,16).
What are the key properties of 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione?
5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione has a molecular weight of 216.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1,4-dihydropyrazine-2,3-dione is sourced from PubChem (CID 166951494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).