2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde

C17H17NO — CID 115107244

IUPAC2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde
SMILESO=CCc1ccc2c(c1)N(Cc1ccccc1)CC2
InChIInChI=1S/C17H17NO/c19-11-9-14-6-7-16-8-10-18(17(16)12-14)13-15-4-2-1-3-5-15/h1-7,11-12H,8-10,13H2
InChIKeyGIMOVCCWDHGCIS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.99
Rot. Bonds4

About 2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde

2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde (PubChem CID 115107244) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde
PubChem CID115107244
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde
SMILESO=CCc1ccc2c(c1)N(Cc1ccccc1)CC2
InChIInChI=1S/C17H17NO/c19-11-9-14-6-7-16-8-10-18(17(16)12-14)13-15-4-2-1-3-5-15/h1-7,11-12H,8-10,13H2
InChIKeyGIMOVCCWDHGCIS-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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

1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-trimethylsilane
CID 103438257
N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide
CID 142743440
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 70300174
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
(2R)-1-(1-benzyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 125041450
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde?
The IUPAC name of 2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde (CID 115107244) is 2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde.
What is the SMILES notation for 2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde?
The canonical SMILES for 2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde is O=CCc1ccc2c(c1)N(Cc1ccccc1)CC2.
What is the InChIKey of 2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde?
The InChIKey is GIMOVCCWDHGCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-11-9-14-6-7-16-8-10-18(17(16)12-14)13-15-4-2-1-3-5-15/h1-7,11-12H,8-10,13H2.
What are the key properties of 2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde?
2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde has a molecular weight of 251.33 g/mol, XLogP of 2.99, 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-6-yl)acetaldehyde is sourced from PubChem (CID 115107244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).