6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C10H11BrN2O2 — CID 16679916

IUPAC6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESC=CC1Cn2c(Br)ccc2C(=O)N1OC
InChIInChI=1S/C10H11BrN2O2/c1-3-7-6-12-8(4-5-9(12)11)10(14)13(7)15-2/h3-5,7H,1,6H2,2H3
InChIKeyYMJQLATUSLDXII-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.82
Rot. Bonds2

About 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 16679916) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID16679916
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESC=CC1Cn2c(Br)ccc2C(=O)N1OC
InChIInChI=1S/C10H11BrN2O2/c1-3-7-6-12-8(4-5-9(12)11)10(14)13(7)15-2/h3-5,7H,1,6H2,2H3
InChIKeyYMJQLATUSLDXII-UHFFFAOYSA-N
XLogP1.82
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 16679916) is 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is C=CC1Cn2c(Br)ccc2C(=O)N1OC.
What is the InChIKey of 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is YMJQLATUSLDXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-3-7-6-12-8(4-5-9(12)11)10(14)13(7)15-2/h3-5,7H,1,6H2,2H3.
What are the key properties of 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 271.11 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 16679916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).