6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde

C10H9NO2 — CID 19886284

IUPAC6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde
SMILESO=CC1=CC2NC=CC=C2CC1=O
InChIInChI=1S/C10H9NO2/c12-6-8-4-9-7(5-10(8)13)2-1-3-11-9/h1-4,6,9,11H,5H2
InChIKeyUUMXDNLVLBFKDH-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.50
Rot. Bonds1

About 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde

6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde (PubChem CID 19886284) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde.

Molecular Properties

Compound Name6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde
PubChem CID19886284
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde
SMILESO=CC1=CC2NC=CC=C2CC1=O
InChIInChI=1S/C10H9NO2/c12-6-8-4-9-7(5-10(8)13)2-1-3-11-9/h1-4,6,9,11H,5H2
InChIKeyUUMXDNLVLBFKDH-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde?
The IUPAC name of 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde (CID 19886284) is 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde.
What is the SMILES notation for 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde?
The canonical SMILES for 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde is O=CC1=CC2NC=CC=C2CC1=O.
What is the InChIKey of 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde?
The InChIKey is UUMXDNLVLBFKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-8-4-9-7(5-10(8)13)2-1-3-11-9/h1-4,6,9,11H,5H2.
What are the key properties of 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde?
6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5,8a-dihydro-1H-quinoline-7-carbaldehyde is sourced from PubChem (CID 19886284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).