(2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium

C7H11NO — CID 98084456

IUPAC(2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
SMILESC=C[C@H]1CCCC=[N+]1[O-]
InChIInChI=1S/C7H11NO/c1-2-7-5-3-4-6-8(7)9/h2,6-7H,1,3-5H2/t7-/m0/s1
InChIKeyZHQYSYNQGFCLPE-ZETCQYMHSA-N
MW125.17 g/mol
LogP1.31
Rot. Bonds1

About (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium

(2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium (PubChem CID 98084456) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium.

Molecular Properties

Compound Name(2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
PubChem CID98084456
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
SMILESC=C[C@H]1CCCC=[N+]1[O-]
InChIInChI=1S/C7H11NO/c1-2-7-5-3-4-6-8(7)9/h2,6-7H,1,3-5H2/t7-/m0/s1
InChIKeyZHQYSYNQGFCLPE-ZETCQYMHSA-N
XLogP1.31
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.31
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'}

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Related Compounds

2-Vinyl-2,3,4,5-tetrahydropyridine
CID 67162088
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
2-Ethenyl-6-methyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
CID 131163058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium?
The IUPAC name of (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium (CID 98084456) is (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium.
What is the SMILES notation for (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium?
The canonical SMILES for (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium is C=C[C@H]1CCCC=[N+]1[O-].
What is the InChIKey of (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium?
The InChIKey is ZHQYSYNQGFCLPE-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7-5-3-4-6-8(7)9/h2,6-7H,1,3-5H2/t7-/m0/s1.
What are the key properties of (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium?
(2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium has a molecular weight of 125.17 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium is sourced from PubChem (CID 98084456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).