2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

C18H13BrN2O3 — CID 10000132

IUPAC2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESO=C1CC2(C(=O)N1)c1ccccc1C(=O)N2Cc1ccc(Br)cc1
InChIInChI=1S/C18H13BrN2O3/c19-12-7-5-11(6-8-12)10-21-16(23)13-3-1-2-4-14(13)18(21)9-15(22)20-17(18)24/h1-8H,9-10H2,(H,20,22,24)
InChIKeyYYCOTDIZDQHPKL-UHFFFAOYSA-N
MW385.22 g/mol
LogP2.35
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (PubChem CID 10000132) has the molecular formula C18H13BrN2O3 and a molecular weight of 385.22 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
PubChem CID10000132
Molecular FormulaC18H13BrN2O3
Molecular Weight385.22 g/mol
Exact Mass384.01
IUPAC Name2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESO=C1CC2(C(=O)N1)c1ccccc1C(=O)N2Cc1ccc(Br)cc1
InChIInChI=1S/C18H13BrN2O3/c19-12-7-5-11(6-8-12)10-21-16(23)13-3-1-2-4-14(13)18(21)9-15(22)20-17(18)24/h1-8H,9-10H2,(H,20,22,24)
InChIKeyYYCOTDIZDQHPKL-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The IUPAC name of 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (CID 10000132) is 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The canonical SMILES for 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is O=C1CC2(C(=O)N1)c1ccccc1C(=O)N2Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The InChIKey is YYCOTDIZDQHPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O3/c19-12-7-5-11(6-8-12)10-21-16(23)13-3-1-2-4-14(13)18(21)9-15(22)20-17(18)24/h1-8H,9-10H2,(H,20,22,24).
What are the key properties of 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione has a molecular weight of 385.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is sourced from PubChem (CID 10000132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).