2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium

C8H13NO — CID 131163058

IUPAC2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
SMILESC=CC1CCCC(C)=[N+]1[O-]
InChIInChI=1S/C8H13NO/c1-3-8-6-4-5-7(2)9(8)10/h3,8H,1,4-6H2,2H3
InChIKeyAWTAYOGNPDNWDP-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.70
Rot. Bonds1

About 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium

2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium (PubChem CID 131163058) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium.

Molecular Properties

Compound Name2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
PubChem CID131163058
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
SMILESC=CC1CCCC(C)=[N+]1[O-]
InChIInChI=1S/C8H13NO/c1-3-8-6-4-5-7(2)9(8)10/h3,8H,1,4-6H2,2H3
InChIKeyAWTAYOGNPDNWDP-UHFFFAOYSA-N
XLogP1.70
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-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

2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine 1-oxide
CID 14808042
N-cyclohexylhex-5-en-2-imine oxide
CID 44519936
2-Allyl-6-pentyl-2,3,4,5-tetrahydropyridine 1-oxide
CID 129798451
(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine
CID 134862195
2-but-3-enyl-7-methyl-1-oxido-3,4,5,6-tetrahydro-2H-azepin-1-ium
CID 10997653
2-(Iodomethyl)-1-oxido-6-pent-4-enyl-2,3,4,5-tetrahydropyridin-1-ium
CID 11404025
2H-Pyrrole,2-ethenyl-3,4-dihydro-5-methyl-,1-oxide(9CI)
CID 45092479
2-Ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
CID 45092788
(2S)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
CID 93503411
(2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
CID 98084456

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium?
The IUPAC name of 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium (CID 131163058) is 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium.
What is the SMILES notation for 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium?
The canonical SMILES for 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium is C=CC1CCCC(C)=[N+]1[O-].
What is the InChIKey of 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium?
The InChIKey is AWTAYOGNPDNWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8-6-4-5-7(2)9(8)10/h3,8H,1,4-6H2,2H3.
What are the key properties of 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium?
2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium has a molecular weight of 139.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium is sourced from PubChem (CID 131163058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).