7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C8H7BrN2O — CID 155376555

IUPAC7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn2cc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C8H7BrN2O/c1-5-3-11-4-6(9)2-7(11)8(12)10-5/h2-4H,1H3,(H,10,12)
InChIKeyRKEYDBHXEHMJDI-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.70
Rot. Bonds

About 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 155376555) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID155376555
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn2cc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C8H7BrN2O/c1-5-3-11-4-6(9)2-7(11)8(12)10-5/h2-4H,1H3,(H,10,12)
InChIKeyRKEYDBHXEHMJDI-UHFFFAOYSA-N
XLogP1.70
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 155376555) is 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cn2cc(Br)cc2c(=O)[nH]1.
What is the InChIKey of 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is RKEYDBHXEHMJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-5-3-11-4-6(9)2-7(11)8(12)10-5/h2-4H,1H3,(H,10,12).
What are the key properties of 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 227.06 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 155376555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).