2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde

C17H17NO — CID 115107298

IUPAC2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde
SMILESO=CCC1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H17NO/c19-11-10-16-12-15-8-4-5-9-17(15)18(16)13-14-6-2-1-3-7-14/h1-9,11,16H,10,12-13H2
InChIKeyKGSFYSGZGLCDPL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.21
Rot. Bonds4

About 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde

2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde (PubChem CID 115107298) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde
PubChem CID115107298
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde
SMILESO=CCC1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H17NO/c19-11-10-16-12-15-8-4-5-9-17(15)18(16)13-14-6-2-1-3-7-14/h1-9,11,16H,10,12-13H2
InChIKeyKGSFYSGZGLCDPL-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.21
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

(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
CID 59912246
2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine
CID 115107304
1-benzyl-2-(difluoromethyl)-2,3-dihydroindole
CID 22629636
2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
2-benzyl-1-ethyl-2,3-dihydroindole
CID 70645248
1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 115107303
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
(3S)-2,3-dibenzyl-3,4-dihydroisoquinolin-1-one
CID 160964230
2-[(2R)-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-2-yl]acetaldehyde
CID 14543427
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
CID 178034232

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde?
The IUPAC name of 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde (CID 115107298) is 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde?
The canonical SMILES for 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde is O=CCC1Cc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde?
The InChIKey is KGSFYSGZGLCDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-11-10-16-12-15-8-4-5-9-17(15)18(16)13-14-6-2-1-3-7-14/h1-9,11,16H,10,12-13H2.
What are the key properties of 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde?
2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde has a molecular weight of 251.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde is sourced from PubChem (CID 115107298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).