2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde

C10H11NO2 — CID 82111428

IUPAC2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C10H11NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h5-6H,1-4H2,(H,11,13)
InChIKeyCTSUHJBMXAJLLM-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.07
Rot. Bonds1

About 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde

2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde (PubChem CID 82111428) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde
PubChem CID82111428
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C10H11NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h5-6H,1-4H2,(H,11,13)
InChIKeyCTSUHJBMXAJLLM-UHFFFAOYSA-N
XLogP1.07
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.07
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 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde?
The IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde (CID 82111428) is 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde is O=Cc1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde?
The InChIKey is CTSUHJBMXAJLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h5-6H,1-4H2,(H,11,13).
What are the key properties of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde?
2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 82111428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).