2-(3-acetylindol-1-yl)acetaldehyde

C12H11NO2 — CID 130321343

IUPAC2-(3-acetylindol-1-yl)acetaldehyde
SMILESCC(=O)c1cn(CC=O)c2ccccc12
InChIInChI=1S/C12H11NO2/c1-9(15)11-8-13(6-7-14)12-5-3-2-4-10(11)12/h2-5,7-8H,6H2,1H3
InChIKeyAOPYYXVEKAKUTL-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.04
Rot. Bonds3

About 2-(3-acetylindol-1-yl)acetaldehyde

2-(3-acetylindol-1-yl)acetaldehyde (PubChem CID 130321343) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)acetaldehyde
PubChem CID130321343
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(3-acetylindol-1-yl)acetaldehyde
SMILESCC(=O)c1cn(CC=O)c2ccccc12
InChIInChI=1S/C12H11NO2/c1-9(15)11-8-13(6-7-14)12-5-3-2-4-10(11)12/h2-5,7-8H,6H2,1H3
InChIKeyAOPYYXVEKAKUTL-UHFFFAOYSA-N
XLogP2.04
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
5-[(3-acetylindol-1-yl)methyl]furan-2-carboxylic acid
CID 117098458
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone
CID 142695128
1-(1-ethylsulfonylindol-3-yl)ethanone
CID 118447167
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
(Z)-4-(1-ethylindol-3-yl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 139168536
3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 56762237
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone
CID 95922052
6-[[2-(3-acetylindol-1-yl)acetyl]amino]hexanoic acid
CID 45492699

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)acetaldehyde?
The IUPAC name of 2-(3-acetylindol-1-yl)acetaldehyde (CID 130321343) is 2-(3-acetylindol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-acetylindol-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-acetylindol-1-yl)acetaldehyde is CC(=O)c1cn(CC=O)c2ccccc12.
What is the InChIKey of 2-(3-acetylindol-1-yl)acetaldehyde?
The InChIKey is AOPYYXVEKAKUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9(15)11-8-13(6-7-14)12-5-3-2-4-10(11)12/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(3-acetylindol-1-yl)acetaldehyde?
2-(3-acetylindol-1-yl)acetaldehyde has a molecular weight of 201.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)acetaldehyde is sourced from PubChem (CID 130321343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).