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

C8H9BrN2O — CID 130906022

IUPAC(3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESC[C@@H]1Cn2cc(Br)cc2C(=O)N1
InChIInChI=1S/C8H9BrN2O/c1-5-3-11-4-6(9)2-7(11)8(12)10-5/h2,4-5H,3H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyFMJONEXBHAKWEV-RXMQYKEDSA-N
MW229.08 g/mol
LogP1.38
Rot. Bonds

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

(3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 130906022) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is (3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID130906022
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name(3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESC[C@@H]1Cn2cc(Br)cc2C(=O)N1
InChIInChI=1S/C8H9BrN2O/c1-5-3-11-4-6(9)2-7(11)8(12)10-5/h2,4-5H,3H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyFMJONEXBHAKWEV-RXMQYKEDSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 130906022) is (3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is C[C@@H]1Cn2cc(Br)cc2C(=O)N1.
What is the InChIKey of (3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is FMJONEXBHAKWEV-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5-3-11-4-6(9)2-7(11)8(12)10-5/h2,4-5H,3H2,1H3,(H,10,12)/t5-/m1/s1.
What are the key properties of (3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
(3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 229.08 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-bromo-3-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 130906022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).