6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]

C13H16BrN — CID 115049494

IUPAC6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESBrc1ccc2c(c1)NCC21CCCCC1
InChIInChI=1S/C13H16BrN/c14-10-4-5-11-12(8-10)15-9-13(11)6-2-1-3-7-13/h4-5,8,15H,1-3,6-7,9H2
InChIKeyNBHKDEYJYQTOLY-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.08
Rot. Bonds

About 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]

6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 115049494) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID115049494
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESBrc1ccc2c(c1)NCC21CCCCC1
InChIInChI=1S/C13H16BrN/c14-10-4-5-11-12(8-10)15-9-13(11)6-2-1-3-7-13/h4-5,8,15H,1-3,6-7,9H2
InChIKeyNBHKDEYJYQTOLY-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 115049494) is 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane] is Brc1ccc2c(c1)NCC21CCCCC1.
What is the InChIKey of 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is NBHKDEYJYQTOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-10-4-5-11-12(8-10)15-9-13(11)6-2-1-3-7-13/h4-5,8,15H,1-3,6-7,9H2.
What are the key properties of 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]?
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 266.18 g/mol, XLogP of 4.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 115049494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).