2-(1-benzylindol-7-yl)acetaldehyde

C17H15NO — CID 115107333

IUPAC2-(1-benzylindol-7-yl)acetaldehyde
SMILESO=CCc1cccc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C17H15NO/c19-12-10-16-8-4-7-15-9-11-18(17(15)16)13-14-5-2-1-3-6-14/h1-9,11-12H,10,13H2
InChIKeyNSHNAWHUZZCSJX-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.43
Rot. Bonds4

About 2-(1-benzylindol-7-yl)acetaldehyde

2-(1-benzylindol-7-yl)acetaldehyde (PubChem CID 115107333) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1-benzylindol-7-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-benzylindol-7-yl)acetaldehyde
PubChem CID115107333
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-(1-benzylindol-7-yl)acetaldehyde
SMILESO=CCc1cccc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C17H15NO/c19-12-10-16-8-4-7-15-9-11-18(17(15)16)13-14-5-2-1-3-6-14/h1-9,11-12H,10,13H2
InChIKeyNSHNAWHUZZCSJX-UHFFFAOYSA-N
XLogP3.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.43
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-(1-benzylindol-7-yl)acetic acid
CID 115107342
1-benzyl-7-(2-methylpropyl)indole
CID 59836563
2-naphthalen-1-ylacetaldehyde
CID 12570786
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
4-[[7-(aminomethyl)indol-1-yl]methyl]benzonitrile
CID 102913605
[1-(3-phenylpropyl)indol-7-yl]methanol
CID 102911939
[1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine
CID 105409601
4-chloro-3-[(7-ethylindol-1-yl)methyl]aniline
CID 43169098
1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
CID 58125316
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
1-benzyl-7-[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]indole
CID 11818581
2-(7-ethylindol-1-yl)acetic acid
CID 28602716

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-7-yl)acetaldehyde?
The IUPAC name of 2-(1-benzylindol-7-yl)acetaldehyde (CID 115107333) is 2-(1-benzylindol-7-yl)acetaldehyde.
What is the SMILES notation for 2-(1-benzylindol-7-yl)acetaldehyde?
The canonical SMILES for 2-(1-benzylindol-7-yl)acetaldehyde is O=CCc1cccc2ccn(Cc3ccccc3)c12.
What is the InChIKey of 2-(1-benzylindol-7-yl)acetaldehyde?
The InChIKey is NSHNAWHUZZCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-12-10-16-8-4-7-15-9-11-18(17(15)16)13-14-5-2-1-3-6-14/h1-9,11-12H,10,13H2.
What are the key properties of 2-(1-benzylindol-7-yl)acetaldehyde?
2-(1-benzylindol-7-yl)acetaldehyde has a molecular weight of 249.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-7-yl)acetaldehyde is sourced from PubChem (CID 115107333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).