6-bromo-3-(3-bromoprop-1-enyl)-1H-indole

C11H9Br2N — CID 169476751

IUPAC6-bromo-3-(3-bromoprop-1-enyl)-1H-indole
SMILESBrCC=Cc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H9Br2N/c12-5-1-2-8-7-14-11-6-9(13)3-4-10(8)11/h1-4,6-7,14H,5H2
InChIKeyXBNZPBSPUCSYMH-UHFFFAOYSA-N
MW315.01 g/mol
LogP4.34
Rot. Bonds2

About 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole

6-bromo-3-(3-bromoprop-1-enyl)-1H-indole (PubChem CID 169476751) has the molecular formula C11H9Br2N and a molecular weight of 315.01 g/mol. Its IUPAC name is 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole.

Molecular Properties

Compound Name6-bromo-3-(3-bromoprop-1-enyl)-1H-indole
PubChem CID169476751
Molecular FormulaC11H9Br2N
Molecular Weight315.01 g/mol
Exact Mass312.91
IUPAC Name6-bromo-3-(3-bromoprop-1-enyl)-1H-indole
SMILESBrCC=Cc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H9Br2N/c12-5-1-2-8-7-14-11-6-9(13)3-4-10(8)11/h1-4,6-7,14H,5H2
InChIKeyXBNZPBSPUCSYMH-UHFFFAOYSA-N
XLogP4.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.01
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-bromo-1H-indol-3-yl)prop-2-enoic acid
CID 14847255
6-bromo-3-(3-bromoprop-1-enyl)-1H-indazole
CID 169476513
6-bromo-3-[(1E,3E)-4-nitrobuta-1,3-dienyl]-1H-indole
CID 15416729
6-bromo-1H-indole;6-bromo-1H-indole-3-carbaldehyde
CID 157347826
N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine
CID 169474897
3-(6-bromo-1H-indol-3-yl)-1-(1H-indol-2-yl)prop-2-en-1-one
CID 123915501
3-(6-bromo-1H-indol-3-yl)-N-(3-fluorophenyl)prop-2-enamide
CID 172907290
6-bromo-3-(4-bromophenyl)-1H-indole
CID 118648675
6-bromo-3-[2-(6-bromo-1H-indol-3-yl)propan-2-yl]-1H-indole
CID 155941539
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
6-bromo-3-isocyano-1H-indole
CID 59831783
benzyl N-[3-(5-bromo-1H-indol-3-yl)prop-2-enyl]carbamate
CID 169472989

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole?
The IUPAC name of 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole (CID 169476751) is 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole.
What is the SMILES notation for 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole?
The canonical SMILES for 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole is BrCC=Cc1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole?
The InChIKey is XBNZPBSPUCSYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N/c12-5-1-2-8-7-14-11-6-9(13)3-4-10(8)11/h1-4,6-7,14H,5H2.
What are the key properties of 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole?
6-bromo-3-(3-bromoprop-1-enyl)-1H-indole has a molecular weight of 315.01 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-bromoprop-1-enyl)-1H-indole is sourced from PubChem (CID 169476751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).