1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde

C11H10BrNO2 — CID 60758043

IUPAC1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
SMILESCC(=O)N1CCc2cc(Br)c(C=O)cc21
InChIInChI=1S/C11H10BrNO2/c1-7(15)13-3-2-8-4-10(12)9(6-14)5-11(8)13/h4-6H,2-3H2,1H3
InChIKeyLUONFIIYGZDSTO-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.17
Rot. Bonds1

About 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde

1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde (PubChem CID 60758043) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde.

Molecular Properties

Compound Name1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
PubChem CID60758043
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
SMILESCC(=O)N1CCc2cc(Br)c(C=O)cc21
InChIInChI=1S/C11H10BrNO2/c1-7(15)13-3-2-8-4-10(12)9(6-14)5-11(8)13/h4-6H,2-3H2,1H3
InChIKeyLUONFIIYGZDSTO-UHFFFAOYSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one
CID 83154759
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-3-methylpentan-1-one
CID 114874017
1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
CID 178096572
1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 59468850
1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 46503628
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde?
The IUPAC name of 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde (CID 60758043) is 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde.
What is the SMILES notation for 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde?
The canonical SMILES for 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde is CC(=O)N1CCc2cc(Br)c(C=O)cc21.
What is the InChIKey of 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde?
The InChIKey is LUONFIIYGZDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-7(15)13-3-2-8-4-10(12)9(6-14)5-11(8)13/h4-6H,2-3H2,1H3.
What are the key properties of 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde?
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde has a molecular weight of 268.11 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde is sourced from PubChem (CID 60758043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).