5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole

C15H18BrNO — CID 116619600

IUPAC5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
SMILESCC1(C)CCC(Cn2ccc3cc(Br)ccc32)O1
InChIInChI=1S/C15H18BrNO/c1-15(2)7-5-13(18-15)10-17-8-6-11-9-12(16)3-4-14(11)17/h3-4,6,8-9,13H,5,7,10H2,1-2H3
InChIKeyLCWGYXPOWZCFHD-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.36
Rot. Bonds2

About 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole

5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole (PubChem CID 116619600) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
PubChem CID116619600
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
SMILESCC1(C)CCC(Cn2ccc3cc(Br)ccc32)O1
InChIInChI=1S/C15H18BrNO/c1-15(2)7-5-13(18-15)10-17-8-6-11-9-12(16)3-4-14(11)17/h3-4,6,8-9,13H,5,7,10H2,1-2H3
InChIKeyLCWGYXPOWZCFHD-UHFFFAOYSA-N
XLogP4.36
TPSA14.16 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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole with MolForge

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

Launch Full Analysis

Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 116524108
1-[(5,5-dimethyloxolan-2-yl)methyl]-6-nitroindole
CID 116621009
1-[(5,5-dimethyloxolan-2-yl)methyl]indole-6-carbothioamide
CID 107917461
5-bromo-1-(cyclobutylmethyl)indole
CID 116619741
5-bromo-1-(oxan-4-ylmethyl)indole
CID 116619540
4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 103428444
5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
CID 102901099
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
CID 102901200
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole-5-carbonitrile
CID 107920440
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
CID 102901040
5-methyl-1-(oxiran-2-ylmethyl)indole
CID 54857157
2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine
CID 62564077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
The IUPAC name of 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole (CID 116619600) is 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole is CC1(C)CCC(Cn2ccc3cc(Br)ccc32)O1.
What is the InChIKey of 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
The InChIKey is LCWGYXPOWZCFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-15(2)7-5-13(18-15)10-17-8-6-11-9-12(16)3-4-14(11)17/h3-4,6,8-9,13H,5,7,10H2,1-2H3.
What are the key properties of 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole has a molecular weight of 308.22 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole is sourced from PubChem (CID 116619600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).