1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one

C11H13BrN2O — CID 165475746

IUPAC1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N)c(N2CCCC2=O)c(Br)c1
InChIInChI=1S/C11H13BrN2O/c1-7-5-8(12)11(9(13)6-7)14-4-2-3-10(14)15/h5-6H,2-4,13H2,1H3
InChIKeyXNSSOCTWVKPVJK-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.47
Rot. Bonds1

About 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one

1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one (PubChem CID 165475746) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one
PubChem CID165475746
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N)c(N2CCCC2=O)c(Br)c1
InChIInChI=1S/C11H13BrN2O/c1-7-5-8(12)11(9(13)6-7)14-4-2-3-10(14)15/h5-6H,2-4,13H2,1H3
InChIKeyXNSSOCTWVKPVJK-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-bromo-4-methylphenyl)pyrrolidin-2-one
CID 104815334
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one
CID 81310286
1-(2-bromo-5-methylphenyl)piperidin-2-one
CID 82757768
1-(4-amino-3-bromophenyl)piperidin-2-one
CID 82864557
6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 19612122
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 15154182
1-(5-amino-2,3-dimethylphenyl)pyrrolidin-2-one
CID 13062320
1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 166608936
2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline
CID 86037301
1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one
CID 107592762

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one (CID 165475746) is 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one is Cc1cc(N)c(N2CCCC2=O)c(Br)c1.
What is the InChIKey of 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one?
The InChIKey is XNSSOCTWVKPVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7-5-8(12)11(9(13)6-7)14-4-2-3-10(14)15/h5-6H,2-4,13H2,1H3.
What are the key properties of 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one?
1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-bromo-4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 165475746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).