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

C12H15BrN2O — CID 107579742

IUPAC1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2cc(C)cc(Br)c2)C1=O
InChIInChI=1S/C12H15BrN2O/c1-8-5-9(13)7-10(6-8)15-4-3-11(14-2)12(15)16/h5-7,11,14H,3-4H2,1-2H3
InChIKeyOVIKAMMLYCZNBK-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.08
Rot. Bonds2

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

1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 107579742) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one
PubChem CID107579742
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2cc(C)cc(Br)c2)C1=O
InChIInChI=1S/C12H15BrN2O/c1-8-5-9(13)7-10(6-8)15-4-3-11(14-2)12(15)16/h5-7,11,14H,3-4H2,1-2H3
InChIKeyOVIKAMMLYCZNBK-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one (CID 107579742) is 1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one is CNC1CCN(c2cc(C)cc(Br)c2)C1=O.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is OVIKAMMLYCZNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-5-9(13)7-10(6-8)15-4-3-11(14-2)12(15)16/h5-7,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one?
1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 107579742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).