bromoethane;1-methylindole

C11H14BrN — CID 90687414

IUPACbromoethane;1-methylindole
SMILESCCBr.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C2H5Br/c1-10-7-6-8-4-2-3-5-9(8)10;1-2-3/h2-7H,1H3;2H2,1H3
InChIKeyARTPEAOBVSLSFZ-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.58
Rot. Bonds

About bromoethane;1-methylindole

bromoethane;1-methylindole (PubChem CID 90687414) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is bromoethane;1-methylindole.

Molecular Properties

Compound Namebromoethane;1-methylindole
PubChem CID90687414
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Namebromoethane;1-methylindole
SMILESCCBr.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C2H5Br/c1-10-7-6-8-4-2-3-5-9(8)10;1-2-3/h2-7H,1H3;2H2,1H3
InChIKeyARTPEAOBVSLSFZ-UHFFFAOYSA-N
XLogP3.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;guanidine;methane;1-methylindole;propan-2-one
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CID 68614533
1-methylindole;bis(triethyl-(1-methylindol-2-yl)silane)
CID 159581011
1-methylindole;naphthalene-1,4-dione
CID 175045014
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N-(diaminomethylidene)formamide;1-methylindole;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of bromoethane;1-methylindole?
The IUPAC name of bromoethane;1-methylindole (CID 90687414) is bromoethane;1-methylindole.
What is the SMILES notation for bromoethane;1-methylindole?
The canonical SMILES for bromoethane;1-methylindole is CCBr.Cn1ccc2ccccc21.
What is the InChIKey of bromoethane;1-methylindole?
The InChIKey is ARTPEAOBVSLSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H5Br/c1-10-7-6-8-4-2-3-5-9(8)10;1-2-3/h2-7H,1H3;2H2,1H3.
What are the key properties of bromoethane;1-methylindole?
bromoethane;1-methylindole has a molecular weight of 240.14 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;1-methylindole is sourced from PubChem (CID 90687414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).