1-ethyl-1,2-dihydropyridin-1-ium

C7H12N+ — CID 19829251

IUPAC1-ethyl-1,2-dihydropyridin-1-ium
SMILESCC[NH+]1C=CC=CC1
InChIInChI=1S/C7H11N/c1-2-8-6-4-3-5-7-8/h3-6H,2,7H2,1H3/p+1
InChIKeyUCRIXEWTILHNCG-UHFFFAOYSA-O
MW110.18 g/mol
LogP-0.03
Rot. Bonds1

About 1-ethyl-1,2-dihydropyridin-1-ium

1-ethyl-1,2-dihydropyridin-1-ium (PubChem CID 19829251) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol. Its IUPAC name is 1-ethyl-1,2-dihydropyridin-1-ium.

Molecular Properties

Compound Name1-ethyl-1,2-dihydropyridin-1-ium
PubChem CID19829251
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Name1-ethyl-1,2-dihydropyridin-1-ium
SMILESCC[NH+]1C=CC=CC1
InChIInChI=1S/C7H11N/c1-2-8-6-4-3-5-7-8/h3-6H,2,7H2,1H3/p+1
InChIKeyUCRIXEWTILHNCG-UHFFFAOYSA-O
XLogP-0.03
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Dihydropyridines
CID 407038
1,2-Dihydropyridin-1-ium
CID 21954005
1-Methyl-1,6-dihydropyridin-3-amine
CID 11840957
4-Methyl dihydropyridine
CID 407036
Dihydro 4-dimethylamino pyridine
CID 424917
Dihydropyridine amine
CID 17802280
1-Ethylpyridine
CID 18172714
4-Amino-1-methylpyridine
CID 19022584
Hydrochloric acid dihydropyridine
CID 20068859
2,2-Diaminopyridine
CID 70517398
1h-Pyridinium chloride
CID 129796510
2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2-dihydropyridin-1-ium?
The IUPAC name of 1-ethyl-1,2-dihydropyridin-1-ium (CID 19829251) is 1-ethyl-1,2-dihydropyridin-1-ium.
What is the SMILES notation for 1-ethyl-1,2-dihydropyridin-1-ium?
The canonical SMILES for 1-ethyl-1,2-dihydropyridin-1-ium is CC[NH+]1C=CC=CC1.
What is the InChIKey of 1-ethyl-1,2-dihydropyridin-1-ium?
The InChIKey is UCRIXEWTILHNCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11N/c1-2-8-6-4-3-5-7-8/h3-6H,2,7H2,1H3/p+1.
What are the key properties of 1-ethyl-1,2-dihydropyridin-1-ium?
1-ethyl-1,2-dihydropyridin-1-ium has a molecular weight of 110.18 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dihydropyridin-1-ium is sourced from PubChem (CID 19829251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).