7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde

C16H14N2O2 — CID 123609231

IUPAC7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde
SMILESCc1cn2cc(C=O)n(-c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C16H14N2O2/c1-11-8-17-9-14(10-19)18(13-6-4-3-5-7-13)16(20)15(17)12(11)2/h3-10H,1-2H3
InChIKeyOKDGFYMDXXUHEY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.52
Rot. Bonds2

About 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde

7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde (PubChem CID 123609231) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde
PubChem CID123609231
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde
SMILESCc1cn2cc(C=O)n(-c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C16H14N2O2/c1-11-8-17-9-14(10-19)18(13-6-4-3-5-7-13)16(20)15(17)12(11)2/h3-10H,1-2H3
InChIKeyOKDGFYMDXXUHEY-UHFFFAOYSA-N
XLogP2.52
TPSA43.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethyl-1-phenylpyrrole-3-carbaldehyde
CID 30030220
2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde
CID 144557707
5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde
CID 142730846
2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
CID 2394060
5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
CID 13219285
3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
CID 165126064
3-phenyl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 82396622
3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one
CID 90064274
5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134446028
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684
5-chloro-3-methyl-1-phenylpyrazole;formyl chloride
CID 175273197
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
CID 15555687

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde?
The IUPAC name of 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde (CID 123609231) is 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde is Cc1cn2cc(C=O)n(-c3ccccc3)c(=O)c2c1C.
What is the InChIKey of 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde?
The InChIKey is OKDGFYMDXXUHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-8-17-9-14(10-19)18(13-6-4-3-5-7-13)16(20)15(17)12(11)2/h3-10H,1-2H3.
What are the key properties of 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde?
7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1-oxo-2-phenylpyrrolo[1,2-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 123609231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).