ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate

C11H12Br2N2O3 — CID 11014382

IUPACethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate
SMILESCCOC(=O)CC1CNC(=O)c2cc(Br)c(Br)n21
InChIInChI=1S/C11H12Br2N2O3/c1-2-18-9(16)3-6-5-14-11(17)8-4-7(12)10(13)15(6)8/h4,6H,2-3,5H2,1H3,(H,14,17)
InChIKeyZUYPAYZEOBAJDN-UHFFFAOYSA-N
MW380.04 g/mol
LogP2.25
Rot. Bonds3

About ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate

ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate (PubChem CID 11014382) has the molecular formula C11H12Br2N2O3 and a molecular weight of 380.04 g/mol. Its IUPAC name is ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate
PubChem CID11014382
Molecular FormulaC11H12Br2N2O3
Molecular Weight380.04 g/mol
Exact Mass377.92
IUPAC Nameethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate
SMILESCCOC(=O)CC1CNC(=O)c2cc(Br)c(Br)n21
InChIInChI=1S/C11H12Br2N2O3/c1-2-18-9(16)3-6-5-14-11(17)8-4-7(12)10(13)15(6)8/h4,6H,2-3,5H2,1H3,(H,14,17)
InChIKeyZUYPAYZEOBAJDN-UHFFFAOYSA-N
XLogP2.25
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate?
The IUPAC name of ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate (CID 11014382) is ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate?
The canonical SMILES for ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate is CCOC(=O)CC1CNC(=O)c2cc(Br)c(Br)n21.
What is the InChIKey of ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate?
The InChIKey is ZUYPAYZEOBAJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O3/c1-2-18-9(16)3-6-5-14-11(17)8-4-7(12)10(13)15(6)8/h4,6H,2-3,5H2,1H3,(H,14,17).
What are the key properties of ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate?
ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate has a molecular weight of 380.04 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,7-dibromo-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl)acetate is sourced from PubChem (CID 11014382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).