2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde

C11H13NO — CID 93476901

IUPAC2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
SMILESO=CC[C@@H]1CCCc2cccnc21
InChIInChI=1S/C11H13NO/c13-8-6-10-4-1-3-9-5-2-7-12-11(9)10/h2,5,7-8,10H,1,3-4,6H2/t10-/m0/s1
InChIKeyBYPAKEJMRWVZRB-JTQLQIEISA-N
MW175.23 g/mol
LogP2.09
Rot. Bonds2

About 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde

2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde (PubChem CID 93476901) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
PubChem CID93476901
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
SMILESO=CC[C@@H]1CCCc2cccnc21
InChIInChI=1S/C11H13NO/c13-8-6-10-4-1-3-9-5-2-7-12-11(9)10/h2,5,7-8,10H,1,3-4,6H2/t10-/m0/s1
InChIKeyBYPAKEJMRWVZRB-JTQLQIEISA-N
XLogP2.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline
CID 67125733
5,6,7,8-tetrahydroquinolin-8-ylmethylhydrazine
CID 105220811
2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide
CID 141070718
7-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 115410429
3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 19851779
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
CID 112546950
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetic acid
CID 79740284
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532

Frequently Asked Questions

What is the IUPAC name of 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde?
The IUPAC name of 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde (CID 93476901) is 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde.
What is the SMILES notation for 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde?
The canonical SMILES for 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde is O=CC[C@@H]1CCCc2cccnc21.
What is the InChIKey of 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde?
The InChIKey is BYPAKEJMRWVZRB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO/c13-8-6-10-4-1-3-9-5-2-7-12-11(9)10/h2,5,7-8,10H,1,3-4,6H2/t10-/m0/s1.
What are the key properties of 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde?
2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde has a molecular weight of 175.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde is sourced from PubChem (CID 93476901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).