1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde

C18H19NO — CID 15379850

IUPAC1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCN2CCCc1ccccc1
InChIInChI=1S/C18H19NO/c20-14-16-8-9-18-17(13-16)10-12-19(18)11-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14H,4,7,10-12H2
InChIKeyHQLSMSBJNHBFPC-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.49
Rot. Bonds5

About 1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde

1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde (PubChem CID 15379850) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde.

Molecular Properties

Compound Name1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde
PubChem CID15379850
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCN2CCCc1ccccc1
InChIInChI=1S/C18H19NO/c20-14-16-8-9-18-17(13-16)10-12-19(18)11-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14H,4,7,10-12H2
InChIKeyHQLSMSBJNHBFPC-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.49
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-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde?
The IUPAC name of 1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde (CID 15379850) is 1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde.
What is the SMILES notation for 1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde?
The canonical SMILES for 1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde is O=Cc1ccc2c(c1)CCN2CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde?
The InChIKey is HQLSMSBJNHBFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-14-16-8-9-18-17(13-16)10-12-19(18)11-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14H,4,7,10-12H2.
What are the key properties of 1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde?
1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde has a molecular weight of 265.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-2,3-dihydroindole-5-carbaldehyde is sourced from PubChem (CID 15379850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).