4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde

C18H16N2O2 — CID 135018521

IUPAC4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde
SMILESO=CC1CN(Cc2ccccc2)C(=O)C(c2ccccc2)=N1
InChIInChI=1S/C18H16N2O2/c21-13-16-12-20(11-14-7-3-1-4-8-14)18(22)17(19-16)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyOQZNCTYHGYOHBY-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.09
Rot. Bonds4

About 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde

4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde (PubChem CID 135018521) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde.

Molecular Properties

Compound Name4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde
PubChem CID135018521
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde
SMILESO=CC1CN(Cc2ccccc2)C(=O)C(c2ccccc2)=N1
InChIInChI=1S/C18H16N2O2/c21-13-16-12-20(11-14-7-3-1-4-8-14)18(22)17(19-16)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyOQZNCTYHGYOHBY-UHFFFAOYSA-N
XLogP2.09
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
(3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
CID 54547332
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one
CID 10521059
(8R)-6-benzyl-8-ethenyl-2,9-diphenyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 166072349
3-acetyl-1-benzylazetidin-2-one
CID 13222627
(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
CID 11600997
(2S)-2-amino-N-(1-benzyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)propanamide
CID 174402434
2-[2-(3-benzyl-2-oxo-1,3-thiazolidin-5-yl)ethyl]isoindole-1,3-dione
CID 102530672
(3S)-1-benzyl-5-bromo-3-(phenylmethoxymethyl)-2,3-dihydropyridin-6-one
CID 132530645
(5aR)-7-benzyl-3,4,5a,6-tetrahydro-2H-pyrrolo[3,4-e][1,4]diazepine-5,8-dione
CID 7918776
2-benzyl-3-oxo-6-phenyl-1H-isoindole-5-sulfonyl chloride
CID 53435688

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde?
The IUPAC name of 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde (CID 135018521) is 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde.
What is the SMILES notation for 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde?
The canonical SMILES for 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde is O=CC1CN(Cc2ccccc2)C(=O)C(c2ccccc2)=N1.
What is the InChIKey of 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde?
The InChIKey is OQZNCTYHGYOHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-13-16-12-20(11-14-7-3-1-4-8-14)18(22)17(19-16)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2.
What are the key properties of 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde?
4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde has a molecular weight of 292.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde is sourced from PubChem (CID 135018521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).