4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium

C8H14N+ — CID 91233566

IUPAC4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium
SMILESC=[N+]1CC=C(CC)CC1
InChIInChI=1S/C8H14N/c1-3-8-4-6-9(2)7-5-8/h4H,2-3,5-7H2,1H3/q+1
InChIKeyNVWZYNFPENYBEC-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.44
Rot. Bonds1

About 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium

4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium (PubChem CID 91233566) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium.

Molecular Properties

Compound Name4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium
PubChem CID91233566
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Name4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium
SMILESC=[N+]1CC=C(CC)CC1
InChIInChI=1S/C8H14N/c1-3-8-4-6-9(2)7-5-8/h4H,2-3,5-7H2,1H3/q+1
InChIKeyNVWZYNFPENYBEC-UHFFFAOYSA-N
XLogP1.44
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium 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

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
5-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 12506165
1-ethyl-5-methyl-3,6-dihydro-2H-pyridine
CID 85844095
4-methyl-1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridine
CID 12223233
1-methyl-4-propyl-3,6-dihydro-2H-pyridine
CID 12674333
1-ethyl-4-methyl-3,6-dihydro-2H-pyridine
CID 13802890
4-Ethylidene-1-methylpiperidine
CID 18713410
4-methyl-1-propyl-3,6-dihydro-2H-pyridine
CID 20375597
1-[(E)-3-methylpent-2-enyl]piperidine
CID 22628672
1-[(Z)-2-ethylbut-2-enyl]piperidine
CID 22628673

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium?
The IUPAC name of 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium (CID 91233566) is 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium.
What is the SMILES notation for 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium?
The canonical SMILES for 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium is C=[N+]1CC=C(CC)CC1.
What is the InChIKey of 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium?
The InChIKey is NVWZYNFPENYBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-3-8-4-6-9(2)7-5-8/h4H,2-3,5-7H2,1H3/q+1.
What are the key properties of 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium?
4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium has a molecular weight of 124.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium is sourced from PubChem (CID 91233566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).