5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde

C10H15NO3 — CID 130023883

IUPAC5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde
SMILESO=CC1CCC(O)C2CCC(=O)NC12
InChIInChI=1S/C10H15NO3/c12-5-6-1-3-8(13)7-2-4-9(14)11-10(6)7/h5-8,10,13H,1-4H2,(H,11,14)
InChIKeyQZHXKQXLRXOYHO-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.15
Rot. Bonds1

About 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde

5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde (PubChem CID 130023883) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde
PubChem CID130023883
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde
SMILESO=CC1CCC(O)C2CCC(=O)NC12
InChIInChI=1S/C10H15NO3/c12-5-6-1-3-8(13)7-2-4-9(14)11-10(6)7/h5-8,10,13H,1-4H2,(H,11,14)
InChIKeyQZHXKQXLRXOYHO-UHFFFAOYSA-N
XLogP-0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde?
The IUPAC name of 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde (CID 130023883) is 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde is O=CC1CCC(O)C2CCC(=O)NC12.
What is the InChIKey of 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde?
The InChIKey is QZHXKQXLRXOYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-5-6-1-3-8(13)7-2-4-9(14)11-10(6)7/h5-8,10,13H,1-4H2,(H,11,14).
What are the key properties of 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde?
5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde has a molecular weight of 197.23 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-8-carbaldehyde is sourced from PubChem (CID 130023883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).