2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde

C16H12BrNO2 — CID 71608158

IUPAC2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde
SMILESO=CC[C@@]1(c2ccccc2Br)Nc2ccccc2C1=O
InChIInChI=1S/C16H12BrNO2/c17-13-7-3-2-6-12(13)16(9-10-19)15(20)11-5-1-4-8-14(11)18-16/h1-8,10,18H,9H2/t16-/m0/s1
InChIKeyMCQYXZMUPYHHQH-INIZCTEOSA-N
MW330.18 g/mol
LogP3.54
Rot. Bonds3

About 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde

2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde (PubChem CID 71608158) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde
PubChem CID71608158
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde
SMILESO=CC[C@@]1(c2ccccc2Br)Nc2ccccc2C1=O
InChIInChI=1S/C16H12BrNO2/c17-13-7-3-2-6-12(13)16(9-10-19)15(20)11-5-1-4-8-14(11)18-16/h1-8,10,18H,9H2/t16-/m0/s1
InChIKeyMCQYXZMUPYHHQH-INIZCTEOSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one
CID 101241045
2-(2-bromophenyl)-2-phenyl-1H-indol-3-one
CID 10959434
2-[2-(7-bromo-1H-indol-3-yl)-3-oxo-1H-indol-2-yl]acetonitrile
CID 132819567
2-[(2-bromophenyl)methyl]-2-methyl-1H-indol-3-one
CID 172635518
spiro[1H-indole-2,3'-2-benzofuran]-1',3-dione
CID 132536023
2-hexyl-2-phenyl-1H-indol-3-one
CID 132839339
ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate
CID 122364960
2-ethenyl-2-phenyl-1H-indol-3-one
CID 11118014
4-(2-bromoanilino)spiro[1H-quinazoline-2,2'-indene]-1',3'-dione
CID 162640156
4-(2-bromophenyl)-4-methylazetidin-2-one
CID 64666618
2-methyl-2-(2-oxopropyl)-1H-indol-3-one
CID 121014651
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde (CID 71608158) is 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde is O=CC[C@@]1(c2ccccc2Br)Nc2ccccc2C1=O.
What is the InChIKey of 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde?
The InChIKey is MCQYXZMUPYHHQH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12BrNO2/c17-13-7-3-2-6-12(13)16(9-10-19)15(20)11-5-1-4-8-14(11)18-16/h1-8,10,18H,9H2/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde?
2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde has a molecular weight of 330.18 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde is sourced from PubChem (CID 71608158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).