5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde

C15H18BrNO — CID 174498266

IUPAC5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2ccc(Br)cc2CN1C1CCCCC1
InChIInChI=1S/C15H18BrNO/c16-12-6-7-14-11(8-12)9-17(15(14)10-18)13-4-2-1-3-5-13/h6-8,10,13,15H,1-5,9H2
InChIKeyYWJWWYVZHLYPMZ-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.84
Rot. Bonds2

About 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde

5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174498266) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174498266
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2ccc(Br)cc2CN1C1CCCCC1
InChIInChI=1S/C15H18BrNO/c16-12-6-7-14-11(8-12)9-17(15(14)10-18)13-4-2-1-3-5-13/h6-8,10,13,15H,1-5,9H2
InChIKeyYWJWWYVZHLYPMZ-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Bromo-3-fluorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetaldehyde
CID 90284728
6-Bromo-2-[1-(2,5-difluorophenyl)-4-tri(propan-2-yl)silylbut-3-ynyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174050557
6-Bromo-2-[1-(2,5-difluorophenyl)-4-trimethylsilylbut-3-ynyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174050821
6-Bromo-2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174442587
5-Bromo-2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174456447
5-Bromo-2-[(3-fluorophenyl)methyl]-7-methyl-1,3-dihydroisoindole-1-carbaldehyde
CID 174526590
5-Bromo-2-[(2-fluorophenyl)methyl]-7-methyl-1,3-dihydroisoindole-1-carbaldehyde
CID 174539870
5-Bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methyl-1,3-dihydroisoindole-1-carbaldehyde
CID 174539929
1-bromo-2-[1-(trifluoromethyl)cyclohexyl]-3H-isoindole-1-carbaldehyde
CID 174770898
2-Methyl-1,3-dihydroisoindole-1-carbaldehyde
CID 53968131
2-(6-bromo-3-oxo-1H-isoindol-2-yl)acetaldehyde
CID 57612942
5-Bromo-2-cyclohexylisoindolin-1-one
CID 69616689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde (CID 174498266) is 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde is O=CC1c2ccc(Br)cc2CN1C1CCCCC1.
What is the InChIKey of 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is YWJWWYVZHLYPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-12-6-7-14-11(8-12)9-17(15(14)10-18)13-4-2-1-3-5-13/h6-8,10,13,15H,1-5,9H2.
What are the key properties of 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde?
5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 308.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclohexyl-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174498266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).