1,2,3,4-tetrahydroquinoline-4-carbaldehyde

C10H11NO — CID 54478930

IUPAC1,2,3,4-tetrahydroquinoline-4-carbaldehyde
SMILESO=CC1CCNc2ccccc21
InChIInChI=1S/C10H11NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-4,7-8,11H,5-6H2
InChIKeyQBGRJKGMLMUNEL-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.78
Rot. Bonds1

About 1,2,3,4-tetrahydroquinoline-4-carbaldehyde

1,2,3,4-tetrahydroquinoline-4-carbaldehyde (PubChem CID 54478930) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoline-4-carbaldehyde.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoline-4-carbaldehyde
PubChem CID54478930
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1,2,3,4-tetrahydroquinoline-4-carbaldehyde
SMILESO=CC1CCNc2ccccc21
InChIInChI=1S/C10H11NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-4,7-8,11H,5-6H2
InChIKeyQBGRJKGMLMUNEL-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
The IUPAC name of 1,2,3,4-tetrahydroquinoline-4-carbaldehyde (CID 54478930) is 1,2,3,4-tetrahydroquinoline-4-carbaldehyde.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
The canonical SMILES for 1,2,3,4-tetrahydroquinoline-4-carbaldehyde is O=CC1CCNc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
The InChIKey is QBGRJKGMLMUNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-4,7-8,11H,5-6H2.
What are the key properties of 1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
1,2,3,4-tetrahydroquinoline-4-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoline-4-carbaldehyde is sourced from PubChem (CID 54478930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).