2,3-dihydroquinoline-4-carbaldehyde

C10H9NO — CID 141373523

IUPAC2,3-dihydroquinoline-4-carbaldehyde
SMILESO=CC1=c2ccccc2=NCC1
InChIInChI=1S/C10H9NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2
InChIKeyWWYAREUFEXCSBB-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.06
Rot. Bonds1

About 2,3-dihydroquinoline-4-carbaldehyde

2,3-dihydroquinoline-4-carbaldehyde (PubChem CID 141373523) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,3-dihydroquinoline-4-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydroquinoline-4-carbaldehyde
PubChem CID141373523
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2,3-dihydroquinoline-4-carbaldehyde
SMILESO=CC1=c2ccccc2=NCC1
InChIInChI=1S/C10H9NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2
InChIKeyWWYAREUFEXCSBB-UHFFFAOYSA-N
XLogP0.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.06
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 2,3-dihydroquinoline-4-carbaldehyde?
The IUPAC name of 2,3-dihydroquinoline-4-carbaldehyde (CID 141373523) is 2,3-dihydroquinoline-4-carbaldehyde.
What is the SMILES notation for 2,3-dihydroquinoline-4-carbaldehyde?
The canonical SMILES for 2,3-dihydroquinoline-4-carbaldehyde is O=CC1=c2ccccc2=NCC1.
What is the InChIKey of 2,3-dihydroquinoline-4-carbaldehyde?
The InChIKey is WWYAREUFEXCSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2.
What are the key properties of 2,3-dihydroquinoline-4-carbaldehyde?
2,3-dihydroquinoline-4-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroquinoline-4-carbaldehyde is sourced from PubChem (CID 141373523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).