1-benzyl-2,3-dihydroindole-5-carbaldehyde

C16H15NO — CID 927567

IUPAC1-benzyl-2,3-dihydroindole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C16H15NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2
InChIKeyFMKZOIZMBARGMS-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.06
Rot. Bonds3

About 1-benzyl-2,3-dihydroindole-5-carbaldehyde

1-benzyl-2,3-dihydroindole-5-carbaldehyde (PubChem CID 927567) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-benzyl-2,3-dihydroindole-5-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-2,3-dihydroindole-5-carbaldehyde
PubChem CID927567
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-benzyl-2,3-dihydroindole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C16H15NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2
InChIKeyFMKZOIZMBARGMS-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dihydroindole-5-carbaldehyde?
The IUPAC name of 1-benzyl-2,3-dihydroindole-5-carbaldehyde (CID 927567) is 1-benzyl-2,3-dihydroindole-5-carbaldehyde.
What is the SMILES notation for 1-benzyl-2,3-dihydroindole-5-carbaldehyde?
The canonical SMILES for 1-benzyl-2,3-dihydroindole-5-carbaldehyde is O=Cc1ccc2c(c1)CCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,3-dihydroindole-5-carbaldehyde?
The InChIKey is FMKZOIZMBARGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-12-14-6-7-16-15(10-14)8-9-17(16)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2.
What are the key properties of 1-benzyl-2,3-dihydroindole-5-carbaldehyde?
1-benzyl-2,3-dihydroindole-5-carbaldehyde has a molecular weight of 237.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dihydroindole-5-carbaldehyde is sourced from PubChem (CID 927567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).