5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde

C14H19NO2 — CID 62121405

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(N2CCCC3CCCCC32)o1
InChIInChI=1S/C14H19NO2/c16-10-12-7-8-14(17-12)15-9-3-5-11-4-1-2-6-13(11)15/h7-8,10-11,13H,1-6,9H2
InChIKeyBNBLUCUOCSZHAC-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.25
Rot. Bonds2

About 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde (PubChem CID 62121405) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde
PubChem CID62121405
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(N2CCCC3CCCCC32)o1
InChIInChI=1S/C14H19NO2/c16-10-12-7-8-14(17-12)15-9-3-5-11-4-1-2-6-13(11)15/h7-8,10-11,13H,1-6,9H2
InChIKeyBNBLUCUOCSZHAC-UHFFFAOYSA-N
XLogP3.25
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)furan-2-carbaldehyde
CID 62121764
5-[(2R)-2-methylpiperidin-1-yl]furan-2-carbaldehyde
CID 7255959
1-(5-formylfuran-2-yl)-N-methylpiperidine-2-carboxamide
CID 55039958
5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)furan-2-carbaldehyde
CID 79930963
5-(3-methyl-1,4-thiazepan-4-yl)furan-2-carbaldehyde
CID 165460877
(3S)-1-(5-formylfuran-2-yl)piperidine-3-carboxylic acid
CID 39196870
5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde
CID 62121921
2-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CID 113387652
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde
CID 64992279
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)furan-2-carbaldehyde
CID 55164067
5-(4-acetyl-1,4-diazepan-1-yl)furan-2-carbaldehyde
CID 55040006
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde;benzaldehyde
CID 159316348

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde (CID 62121405) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde is O=Cc1ccc(N2CCCC3CCCCC32)o1.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde?
The InChIKey is BNBLUCUOCSZHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-10-12-7-8-14(17-12)15-9-3-5-11-4-1-2-6-13(11)15/h7-8,10-11,13H,1-6,9H2.
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)furan-2-carbaldehyde is sourced from PubChem (CID 62121405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).