(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde

C16H15NO — CID 59912246

IUPAC(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
SMILESO=C[C@@H]1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H15NO/c18-12-15-10-14-8-4-5-9-16(14)17(15)11-13-6-2-1-3-7-13/h1-9,12,15H,10-11H2/t15-/m0/s1
InChIKeyOZMUVGXPBLRPRG-HNNXBMFYSA-N
MW237.30 g/mol
LogP2.82
Rot. Bonds3

About (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde

(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde (PubChem CID 59912246) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
PubChem CID59912246
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
SMILESO=C[C@@H]1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H15NO/c18-12-15-10-14-8-4-5-9-16(14)17(15)11-13-6-2-1-3-7-13/h1-9,12,15H,10-11H2/t15-/m0/s1
InChIKeyOZMUVGXPBLRPRG-HNNXBMFYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.82
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-benzyl-2,3-dihydroindol-2-yl)acetaldehyde
CID 115107298
1-(2-bromoethyl)-2,3-dihydroindole-2-carbaldehyde
CID 86273196
1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 102567896
(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 99982020
1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde
CID 115106309
1-benzyl-2-(difluoromethyl)-2,3-dihydroindole
CID 22629636
2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine
CID 115107304
2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 115107303
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
CID 178034232
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde?
The IUPAC name of (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde (CID 59912246) is (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde.
What is the SMILES notation for (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde?
The canonical SMILES for (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde is O=C[C@@H]1Cc2ccccc2N1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde?
The InChIKey is OZMUVGXPBLRPRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15NO/c18-12-15-10-14-8-4-5-9-16(14)17(15)11-13-6-2-1-3-7-13/h1-9,12,15H,10-11H2/t15-/m0/s1.
What are the key properties of (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde?
(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde has a molecular weight of 237.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde is sourced from PubChem (CID 59912246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).