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

C7H7BrN2O2 — CID 10704662

IUPAC7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCC(O)n2cc(Br)cc21
InChIInChI=1S/C7H7BrN2O2/c8-4-1-5-7(12)9-2-6(11)10(5)3-4/h1,3,6,11H,2H2,(H,9,12)
InChIKeyOBNHKRQJEMDNIG-UHFFFAOYSA-N
MW231.05 g/mol
LogP0.48
Rot. Bonds

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

7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 10704662) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID10704662
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCC(O)n2cc(Br)cc21
InChIInChI=1S/C7H7BrN2O2/c8-4-1-5-7(12)9-2-6(11)10(5)3-4/h1,3,6,11H,2H2,(H,9,12)
InChIKeyOBNHKRQJEMDNIG-UHFFFAOYSA-N
XLogP0.48
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Bromo-1H-pyrrol-2-yl)(piperidin-1-yl)methanone
CID 2766365
4-Bromo-1H-pyrrole-2-carboxamide
CID 15346823
4-bromo-N-methyl-1H-pyrrole-2-carboxamide
CID 2766364
(4-bromo-1-methyl-1H-pyrrol-2-yl)(4-methylpiperazino)methanone
CID 16412761
6,7-dibromo-4-hydroxy-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-one
CID 10902963
N-(2-Hydroxyethyl)picolinamide
CID 2045999
Macrophominol
CID 10679336
4-bromo-1-methyl-1H-pyrrole-2-carboxylic acid amide
CID 43411153
5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 53626263
7-bromo-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazin-1-one
CID 69883720
7-bromo-1H,2H-pyrrolo(1,2-a)pyrazin-1-one
CID 75481738
8-bromo-1H,2H,3H,4H,5H-pyrrolo(1,2-a)(1,4)diazepin-1-one
CID 75525000

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 10704662) is 7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C1NCC(O)n2cc(Br)cc21.
What is the InChIKey of 7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OBNHKRQJEMDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c8-4-1-5-7(12)9-2-6(11)10(5)3-4/h1,3,6,11H,2H2,(H,9,12).
What are the key properties of 7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 231.05 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 10704662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).