2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde

C13H14BrNO — CID 117194499

IUPAC2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
SMILESCC(C)n1c(CC=O)cc2c(Br)cccc21
InChIInChI=1S/C13H14BrNO/c1-9(2)15-10(6-7-16)8-11-12(14)4-3-5-13(11)15/h3-5,7-9H,6H2,1-2H3
InChIKeyHTGJDVVPTNKNQH-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.73
Rot. Bonds3

About 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde

2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde (PubChem CID 117194499) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
PubChem CID117194499
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
SMILESCC(C)n1c(CC=O)cc2c(Br)cccc21
InChIInChI=1S/C13H14BrNO/c1-9(2)15-10(6-7-16)8-11-12(14)4-3-5-13(11)15/h3-5,7-9H,6H2,1-2H3
InChIKeyHTGJDVVPTNKNQH-UHFFFAOYSA-N
XLogP3.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.73
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

2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194359
2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194619
2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde
CID 117194285
1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine
CID 117173714
4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
CID 117174060
2-(4-bromo-2-methylindol-1-yl)acetaldehyde
CID 83843794
2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 115006203
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443
1-propan-2-yl-2-(sulfanylmethyl)indole-4-carboxylic acid
CID 117174139
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
9-propan-2-ylcarbazole-3-carbaldehyde
CID 16762077

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde?
The IUPAC name of 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde (CID 117194499) is 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde is CC(C)n1c(CC=O)cc2c(Br)cccc21.
What is the InChIKey of 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde?
The InChIKey is HTGJDVVPTNKNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-9(2)15-10(6-7-16)8-11-12(14)4-3-5-13(11)15/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde?
2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde has a molecular weight of 280.16 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde is sourced from PubChem (CID 117194499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).