5,6,7,8-tetrahydroquinoline-5-carbaldehyde

C10H11NO — CID 174393645

IUPAC5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESO=CC1CCCc2ncccc21
InChIInChI=1S/C10H11NO/c12-7-8-3-1-5-10-9(8)4-2-6-11-10/h2,4,6-8H,1,3,5H2
InChIKeyKNPZZVLVNYYAGR-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.70
Rot. Bonds1

About 5,6,7,8-tetrahydroquinoline-5-carbaldehyde

5,6,7,8-tetrahydroquinoline-5-carbaldehyde (PubChem CID 174393645) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinoline-5-carbaldehyde.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinoline-5-carbaldehyde
PubChem CID174393645
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESO=CC1CCCc2ncccc21
InChIInChI=1S/C10H11NO/c12-7-8-3-1-5-10-9(8)4-2-6-11-10/h2,4,6-8H,1,3,5H2
InChIKeyKNPZZVLVNYYAGR-UHFFFAOYSA-N
XLogP1.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
CID 130367486
5,6,7,8-tetrahydroquinolin-5-ylhydrazine
CID 53418196
(5S)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-ol
CID 138752407
5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde
CID 131153081
(5R)-5-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline
CID 91258411
5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 174491506
(5S)-5-formyl-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 124584420
9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde
CID 175403309
ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate
CID 134691870
5-isocyano-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 123919629
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 176861627

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The IUPAC name of 5,6,7,8-tetrahydroquinoline-5-carbaldehyde (CID 174393645) is 5,6,7,8-tetrahydroquinoline-5-carbaldehyde.
What is the SMILES notation for 5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The canonical SMILES for 5,6,7,8-tetrahydroquinoline-5-carbaldehyde is O=CC1CCCc2ncccc21.
What is the InChIKey of 5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The InChIKey is KNPZZVLVNYYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-7-8-3-1-5-10-9(8)4-2-6-11-10/h2,4,6-8H,1,3,5H2.
What are the key properties of 5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
5,6,7,8-tetrahydroquinoline-5-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinoline-5-carbaldehyde is sourced from PubChem (CID 174393645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).