5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde

C18H17NO — CID 155660781

IUPAC5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde
SMILESCc1ccccc1/C=C/c1ccc2c(c1)CCN2C=O
InChIInChI=1S/C18H17NO/c1-14-4-2-3-5-16(14)8-6-15-7-9-18-17(12-15)10-11-19(18)13-20/h2-9,12-13H,10-11H2,1H3/b8-6+
InChIKeyQHZQNOOYVVMBCM-SOFGYWHQSA-N
MW263.34 g/mol
LogP3.68
Rot. Bonds3

About 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde

5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde (PubChem CID 155660781) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde
PubChem CID155660781
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde
SMILESCc1ccccc1/C=C/c1ccc2c(c1)CCN2C=O
InChIInChI=1S/C18H17NO/c1-14-4-2-3-5-16(14)8-6-15-7-9-18-17(12-15)10-11-19(18)13-20/h2-9,12-13H,10-11H2,1H3/b8-6+
InChIKeyQHZQNOOYVVMBCM-SOFGYWHQSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde (CID 155660781) is 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde is Cc1ccccc1/C=C/c1ccc2c(c1)CCN2C=O.
What is the InChIKey of 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is QHZQNOOYVVMBCM-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H17NO/c1-14-4-2-3-5-16(14)8-6-15-7-9-18-17(12-15)10-11-19(18)13-20/h2-9,12-13H,10-11H2,1H3/b8-6+.
What are the key properties of 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde?
5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 155660781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).