3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione

C13H15BrN2O2 — CID 107358017

IUPAC3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
SMILESC[C@@H](NC1CC(=O)N(C)C1=O)c1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O2/c1-8(9-4-3-5-10(14)6-9)15-11-7-12(17)16(2)13(11)18/h3-6,8,11,15H,7H2,1-2H3/t8-,11?/m1/s1
InChIKeyFRLGBPCQRGUVJG-RZZZFEHKSA-N
MW311.18 g/mol
LogP1.86
Rot. Bonds3

About 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione

3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 107358017) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
PubChem CID107358017
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
SMILESC[C@@H](NC1CC(=O)N(C)C1=O)c1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O2/c1-8(9-4-3-5-10(14)6-9)15-11-7-12(17)16(2)13(11)18/h3-6,8,11,15H,7H2,1-2H3/t8-,11?/m1/s1
InChIKeyFRLGBPCQRGUVJG-RZZZFEHKSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54964613
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
3-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 82963421
1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358036
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358023
1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43636029
3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 61043290
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
CID 98056157
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione (CID 107358017) is 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione is C[C@@H](NC1CC(=O)N(C)C1=O)c1cccc(Br)c1.
What is the InChIKey of 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is FRLGBPCQRGUVJG-RZZZFEHKSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8(9-4-3-5-10(14)6-9)15-11-7-12(17)16(2)13(11)18/h3-6,8,11,15H,7H2,1-2H3/t8-,11?/m1/s1.
What are the key properties of 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione?
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 311.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107358017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).