6-ethynyl-1,2,3,4-tetrahydroquinoline

C11H11N — CID 19702071

IUPAC6-ethynyl-1,2,3,4-tetrahydroquinoline
SMILESC#Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C11H11N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h1,5-6,8,12H,3-4,7H2
InChIKeyNGCUYQBQSOUOFO-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.03
Rot. Bonds

About 6-ethynyl-1,2,3,4-tetrahydroquinoline

6-ethynyl-1,2,3,4-tetrahydroquinoline (PubChem CID 19702071) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 6-ethynyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-ethynyl-1,2,3,4-tetrahydroquinoline
PubChem CID19702071
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name6-ethynyl-1,2,3,4-tetrahydroquinoline
SMILESC#Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C11H11N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h1,5-6,8,12H,3-4,7H2
InChIKeyNGCUYQBQSOUOFO-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
CID 23004946
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
6-ethynyl-2,3-dihydro-1H-quinolin-4-one
CID 147341621
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol
CID 169485135
1,2,3,4-tetrahydroquinolin-6-ylboronic acid
CID 69113319
6-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 23004951
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-ethynyl-1,2,3,4-tetrahydroquinoline (CID 19702071) is 6-ethynyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-ethynyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-ethynyl-1,2,3,4-tetrahydroquinoline is C#Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-ethynyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is NGCUYQBQSOUOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h1,5-6,8,12H,3-4,7H2.
What are the key properties of 6-ethynyl-1,2,3,4-tetrahydroquinoline?
6-ethynyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 157.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 19702071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).