1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione

C14H17BrN2O3 — CID 2663779

IUPAC1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(Br)cc1CN(C)CN1C(=O)CCC1=O
InChIInChI=1S/C14H17BrN2O3/c1-16(9-17-13(18)5-6-14(17)19)8-10-7-11(15)3-4-12(10)20-2/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyRIMLULHLXQOPIU-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.00
Rot. Bonds5

About 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione

1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione (PubChem CID 2663779) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione
PubChem CID2663779
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(Br)cc1CN(C)CN1C(=O)CCC1=O
InChIInChI=1S/C14H17BrN2O3/c1-16(9-17-13(18)5-6-14(17)19)8-10-7-11(15)3-4-12(10)20-2/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyRIMLULHLXQOPIU-UHFFFAOYSA-N
XLogP2.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione (CID 2663779) is 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione is COc1ccc(Br)cc1CN(C)CN1C(=O)CCC1=O.
What is the InChIKey of 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione?
The InChIKey is RIMLULHLXQOPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-16(9-17-13(18)5-6-14(17)19)8-10-7-11(15)3-4-12(10)20-2/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione?
1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione has a molecular weight of 341.21 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2663779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).