6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione

C14H9N3O3 — CID 17255818

IUPAC6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCC(=O)c1cccc(N2C(=O)c3nccnc3C2=O)c1
InChIInChI=1S/C14H9N3O3/c1-8(18)9-3-2-4-10(7-9)17-13(19)11-12(14(17)20)16-6-5-15-11/h2-7H,1H3
InChIKeyOTBLPQXIXJULFD-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.48
Rot. Bonds2

About 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione

6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 17255818) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID17255818
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCC(=O)c1cccc(N2C(=O)c3nccnc3C2=O)c1
InChIInChI=1S/C14H9N3O3/c1-8(18)9-3-2-4-10(7-9)17-13(19)11-12(14(17)20)16-6-5-15-11/h2-7H,1H3
InChIKeyOTBLPQXIXJULFD-UHFFFAOYSA-N
XLogP1.48
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 714778
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
CID 113082971
(1R,2R,6R,7R)-4-(3-acetylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124713521
3-(3-acetylanilino)-1-(3-acetylphenyl)pyrrole-2,5-dione
CID 734368
17-(3-acetylphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2871716
(1S,2S,6R,7R,8R,10S)-4-(3-acetylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 2257991
(1R,2S,6S,7R,8S,10S)-4-(3-acetylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98069349
(1R,2R,6R,7S)-4-(3-acetylphenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 27511631
6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione
CID 766014
(1R,2R,6S,7R)-4-(3-acetylphenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 7303207
(1R,2R,6R,7R)-4-(3-acetylphenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98124505

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione (CID 17255818) is 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione is CC(=O)c1cccc(N2C(=O)c3nccnc3C2=O)c1.
What is the InChIKey of 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is OTBLPQXIXJULFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c1-8(18)9-3-2-4-10(7-9)17-13(19)11-12(14(17)20)16-6-5-15-11/h2-7H,1H3.
What are the key properties of 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 267.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 17255818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).