7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C8H9BrN2O — CID 130615016

IUPAC7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC1CNC(=O)c2cc(Br)cn21
InChIInChI=1S/C8H9BrN2O/c1-5-3-10-8(12)7-2-6(9)4-11(5)7/h2,4-5H,3H2,1H3,(H,10,12)
InChIKeyJPXNXMHACMHYOZ-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.55
Rot. Bonds

About 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 130615016) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID130615016
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC1CNC(=O)c2cc(Br)cn21
InChIInChI=1S/C8H9BrN2O/c1-5-3-10-8(12)7-2-6(9)4-11(5)7/h2,4-5H,3H2,1H3,(H,10,12)
InChIKeyJPXNXMHACMHYOZ-UHFFFAOYSA-N
XLogP1.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 130615016) is 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is CC1CNC(=O)c2cc(Br)cn21.
What is the InChIKey of 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is JPXNXMHACMHYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5-3-10-8(12)7-2-6(9)4-11(5)7/h2,4-5H,3H2,1H3,(H,10,12).
What are the key properties of 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 229.08 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 130615016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).