1-Pyridin-1-ium-1-ylpropan-2-one
Plain text
Chemfused. (2026). 1-Pyridin-1-ium-1-ylpropan-2-one. Retrieved 2026-04-28 from https://chemfused.com/compound/171101
BibTeX
@misc{chemfused-compound-171101,
title = {1-Pyridin-1-ium-1-ylpropan-2-one},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/compound/171101},
urldate = {2026-04-28}
}
1-Pyridin-1-ium-1-ylpropan-2-one is a chemical compound with molecular formula C8H10NO+ and molecular weight 136.17 g/mol .
What is 1-Pyridin-1-ium-1-ylpropan-2-one?
- Molecular Formula
- C8H10NO+
- Molecular Weight
- 136.17 g/mol
Structure Identifiers
- SMILES
- CC(=O)C[N+]1=CC=CC=C1
- InChI
- InChI=1S/C8H10NO/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/q+1
- InChIKey
- UMXSWZIKKAZRTE-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 136.0762 Da
- XLogP
- 0.80
- TPSA
- 21.0 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 1
- Complexity
- 116
- Formal Charge
- +1
Safety information
No safety data available for this chemical.
Synonyms (1)
- SCHEMBL4400297
Frequently asked questions
What is the molecular formula of 1-Pyridin-1-ium-1-ylpropan-2-one?
1-Pyridin-1-ium-1-ylpropan-2-one has the molecular formula C8H10NO+ and a molecular weight of 136.17 g/mol.
What is the SMILES notation for 1-Pyridin-1-ium-1-ylpropan-2-one?
The SMILES notation for 1-Pyridin-1-ium-1-ylpropan-2-one is CC(=O)C[N+]1=CC=CC=C1.
What are other names for 1-Pyridin-1-ium-1-ylpropan-2-one?
1-Pyridin-1-ium-1-ylpropan-2-one is also known as SCHEMBL4400297.
Data sourced from PubChem CID 408049. Last updated .
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