4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one

C12H11BrN2O — CID 58295744

IUPAC4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one
SMILESO=C1NC2(C=CNCC2)c2c(Br)cccc21
InChIInChI=1S/C12H11BrN2O/c13-9-3-1-2-8-10(9)12(15-11(8)16)4-6-14-7-5-12/h1-4,6,14H,5,7H2,(H,15,16)
InChIKeyUMRHWBDTRWKKCB-UHFFFAOYSA-N
MW279.14 g/mol
LogP1.89
Rot. Bonds

About 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one

4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one (PubChem CID 58295744) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one.

Molecular Properties

Compound Name4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one
PubChem CID58295744
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one
SMILESO=C1NC2(C=CNCC2)c2c(Br)cccc21
InChIInChI=1S/C12H11BrN2O/c13-9-3-1-2-8-10(9)12(15-11(8)16)4-6-14-7-5-12/h1-4,6,14H,5,7H2,(H,15,16)
InChIKeyUMRHWBDTRWKKCB-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one?
The IUPAC name of 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one (CID 58295744) is 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one.
What is the SMILES notation for 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one?
The canonical SMILES for 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one is O=C1NC2(C=CNCC2)c2c(Br)cccc21.
What is the InChIKey of 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one?
The InChIKey is UMRHWBDTRWKKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-9-3-1-2-8-10(9)12(15-11(8)16)4-6-14-7-5-12/h1-4,6,14H,5,7H2,(H,15,16).
What are the key properties of 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one?
4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one has a molecular weight of 279.14 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-bromospiro[2,3-dihydro-1H-pyridine-4,3'-2H-isoindole]-1'-one is sourced from PubChem (CID 58295744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).