5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]

C15H19BrN+ — CID 11728918

IUPAC5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]
SMILESCC1=[N+](C)c2ccc(Br)cc2C12CCCCC2
InChIInChI=1S/C15H19BrN/c1-11-15(8-4-3-5-9-15)13-10-12(16)6-7-14(13)17(11)2/h6-7,10H,3-5,8-9H2,1-2H3/q+1
InChIKeyPIKMZQFFKDAKOG-UHFFFAOYSA-N
MW293.23 g/mol
LogP4.40
Rot. Bonds

About 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]

5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium] (PubChem CID 11728918) has the molecular formula C15H19BrN+ and a molecular weight of 293.23 g/mol. Its IUPAC name is 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium].

Molecular Properties

Compound Name5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]
PubChem CID11728918
Molecular FormulaC15H19BrN+
Molecular Weight293.23 g/mol
Exact Mass292.07
IUPAC Name5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]
SMILESCC1=[N+](C)c2ccc(Br)cc2C12CCCCC2
InChIInChI=1S/C15H19BrN/c1-11-15(8-4-3-5-9-15)13-10-12(16)6-7-14(13)17(11)2/h6-7,10H,3-5,8-9H2,1-2H3/q+1
InChIKeyPIKMZQFFKDAKOG-UHFFFAOYSA-N
XLogP4.40
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]
CID 22953136
5-bromo-1,2,3,3-tetramethylindol-1-ium iodide
CID 15476030
9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 118360866
9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 59243882
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene
CID 10684359
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
CID 145209276
1-(5-bromo-2-ethylphenyl)cyclohexan-1-amine
CID 84812388
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686

Frequently Asked Questions

What is the IUPAC name of 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]?
The IUPAC name of 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium] (CID 11728918) is 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium].
What is the SMILES notation for 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]?
The canonical SMILES for 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium] is CC1=[N+](C)c2ccc(Br)cc2C12CCCCC2.
What is the InChIKey of 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]?
The InChIKey is PIKMZQFFKDAKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN/c1-11-15(8-4-3-5-9-15)13-10-12(16)6-7-14(13)17(11)2/h6-7,10H,3-5,8-9H2,1-2H3/q+1.
What are the key properties of 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]?
5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium] has a molecular weight of 293.23 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium] is sourced from PubChem (CID 11728918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).