3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one

C11H13BrN2O — CID 82756909

IUPAC3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(Br)c(N2CCC(N)C2=O)c1
InChIInChI=1S/C11H13BrN2O/c1-7-2-3-8(12)10(6-7)14-5-4-9(13)11(14)15/h2-3,6,9H,4-5,13H2,1H3
InChIKeyNXTVRAVUEZCCCG-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.82
Rot. Bonds1

About 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one

3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one (PubChem CID 82756909) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one
PubChem CID82756909
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(Br)c(N2CCC(N)C2=O)c1
InChIInChI=1S/C11H13BrN2O/c1-7-2-3-8(12)10(6-7)14-5-4-9(13)11(14)15/h2-3,6,9H,4-5,13H2,1H3
InChIKeyNXTVRAVUEZCCCG-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one (CID 82756909) is 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one is Cc1ccc(Br)c(N2CCC(N)C2=O)c1.
What is the InChIKey of 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one?
The InChIKey is NXTVRAVUEZCCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7-2-3-8(12)10(6-7)14-5-4-9(13)11(14)15/h2-3,6,9H,4-5,13H2,1H3.
What are the key properties of 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one?
3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82756909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).