4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine

C8H11N — CID 10443130

IUPAC4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESC#CC1=CCN(C)CC1
InChIInChI=1S/C8H11N/c1-3-8-4-6-9(2)7-5-8/h1,4H,5-7H2,2H3
InChIKeyAHPYFQGQOJASKP-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.88
Rot. Bonds

About 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine

4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 10443130) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID10443130
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESC#CC1=CCN(C)CC1
InChIInChI=1S/C8H11N/c1-3-8-4-6-9(2)7-5-8/h1,4H,5-7H2,2H3
InChIKeyAHPYFQGQOJASKP-UHFFFAOYSA-N
XLogP0.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
5-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 12506165
4-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
CID 59448063
1-ethyl-5-methyl-3,6-dihydro-2H-pyridine
CID 85844095
Methallyl-2,3,4,5,6-pentadeutero-1,2,3,6-tetrahydropyridine
CID 129814092
1-ethyl-4-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205520
5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine
CID 130614205
1-but-3-ynyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 130627524

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine (CID 10443130) is 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine is C#CC1=CCN(C)CC1.
What is the InChIKey of 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is AHPYFQGQOJASKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-8-4-6-9(2)7-5-8/h1,4H,5-7H2,2H3.
What are the key properties of 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine?
4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 121.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10443130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).