1-acetyl-5-bromo-2H-indol-3-one

C10H8BrNO2 — CID 793042

IUPAC1-acetyl-5-bromo-2H-indol-3-one
SMILESCC(=O)N1CC(=O)c2cc(Br)ccc21
InChIInChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3
InChIKeyKXJGSNRAQWDDJT-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.00
Rot. Bonds

About 1-acetyl-5-bromo-2H-indol-3-one

1-acetyl-5-bromo-2H-indol-3-one (PubChem CID 793042) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 1-acetyl-5-bromo-2H-indol-3-one.

Molecular Properties

Compound Name1-acetyl-5-bromo-2H-indol-3-one
PubChem CID793042
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name1-acetyl-5-bromo-2H-indol-3-one
SMILESCC(=O)N1CC(=O)c2cc(Br)ccc21
InChIInChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3
InChIKeyKXJGSNRAQWDDJT-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-2H-indol-3-one?
The IUPAC name of 1-acetyl-5-bromo-2H-indol-3-one (CID 793042) is 1-acetyl-5-bromo-2H-indol-3-one.
What is the SMILES notation for 1-acetyl-5-bromo-2H-indol-3-one?
The canonical SMILES for 1-acetyl-5-bromo-2H-indol-3-one is CC(=O)N1CC(=O)c2cc(Br)ccc21.
What is the InChIKey of 1-acetyl-5-bromo-2H-indol-3-one?
The InChIKey is KXJGSNRAQWDDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3.
What are the key properties of 1-acetyl-5-bromo-2H-indol-3-one?
1-acetyl-5-bromo-2H-indol-3-one has a molecular weight of 254.08 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-2H-indol-3-one is sourced from PubChem (CID 793042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).