3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one

C10H12BrN3O — CID 63788058

IUPAC3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one
SMILESCc1cnc(CN2CCC(Br)C2=O)cn1
InChIInChI=1S/C10H12BrN3O/c1-7-4-13-8(5-12-7)6-14-3-2-9(11)10(14)15/h4-5,9H,2-3,6H2,1H3
InChIKeyJMNGAADOMROUFN-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.28
Rot. Bonds2

About 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one

3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one (PubChem CID 63788058) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one
PubChem CID63788058
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one
SMILESCc1cnc(CN2CCC(Br)C2=O)cn1
InChIInChI=1S/C10H12BrN3O/c1-7-4-13-8(5-12-7)6-14-3-2-9(11)10(14)15/h4-5,9H,2-3,6H2,1H3
InChIKeyJMNGAADOMROUFN-UHFFFAOYSA-N
XLogP1.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 57999017
N-ethyl-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 91396345
N-ethyl-N-[(6-methylpyrazin-2-yl)methyl]acetamide
CID 149636645
1-[(5-Methylpyrazin-2-yl)methyl]pyrrolidine-2,3-dione
CID 62845925
2-bromo-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide
CID 62846111
3-Amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one
CID 62846287
4-Amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one
CID 62847770
2-bromo-N-[(5-methylpyrazin-2-yl)methyl]butanamide
CID 62856187
2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 63678790
1-[(5-Methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile
CID 64209987
3-Bromo-1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-one
CID 64237461
1-[(5-Methylpyrazin-2-yl)methyl]pyrrolidine-2,4-dione
CID 79515232

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one (CID 63788058) is 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one is Cc1cnc(CN2CCC(Br)C2=O)cn1.
What is the InChIKey of 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is JMNGAADOMROUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-7-4-13-8(5-12-7)6-14-3-2-9(11)10(14)15/h4-5,9H,2-3,6H2,1H3.
What are the key properties of 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one?
3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 63788058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).