1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone

C10H11BrN2O — CID 19711338

IUPAC1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(Br)cc(N)c21
InChIInChI=1S/C10H11BrN2O/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3,12H2,1H3
InChIKeyDBKBKWSBFWROLO-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.94
Rot. Bonds

About 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone

1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone (PubChem CID 19711338) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone
PubChem CID19711338
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(Br)cc(N)c21
InChIInChI=1S/C10H11BrN2O/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3,12H2,1H3
InChIKeyDBKBKWSBFWROLO-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone (CID 19711338) is 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(Br)cc(N)c21.
What is the InChIKey of 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is DBKBKWSBFWROLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3,12H2,1H3.
What are the key properties of 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone?
1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 255.11 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 19711338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).