5-methyl-1,2-dihydropyridin-1-ium

C6H10N+ — CID 54569648

IUPAC5-methyl-1,2-dihydropyridin-1-ium
SMILESCC1=C[NH2+]CC=C1
InChIInChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2-3,5,7H,4H2,1H3/p+1
InChIKeyNVBVHODKXHXMFO-UHFFFAOYSA-O
MW96.15 g/mol
LogP0.02
Rot. Bonds

About 5-methyl-1,2-dihydropyridin-1-ium

5-methyl-1,2-dihydropyridin-1-ium (PubChem CID 54569648) has the molecular formula C6H10N+ and a molecular weight of 96.15 g/mol. Its IUPAC name is 5-methyl-1,2-dihydropyridin-1-ium.

Molecular Properties

Compound Name5-methyl-1,2-dihydropyridin-1-ium
PubChem CID54569648
Molecular FormulaC6H10N+
Molecular Weight96.15 g/mol
Exact Mass96.08
IUPAC Name5-methyl-1,2-dihydropyridin-1-ium
SMILESCC1=C[NH2+]CC=C1
InChIInChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2-3,5,7H,4H2,1H3/p+1
InChIKeyNVBVHODKXHXMFO-UHFFFAOYSA-O
XLogP0.02
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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3-Methylen-1,2,3,6-tetrahydropyridine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-dihydropyridin-1-ium?
The IUPAC name of 5-methyl-1,2-dihydropyridin-1-ium (CID 54569648) is 5-methyl-1,2-dihydropyridin-1-ium.
What is the SMILES notation for 5-methyl-1,2-dihydropyridin-1-ium?
The canonical SMILES for 5-methyl-1,2-dihydropyridin-1-ium is CC1=C[NH2+]CC=C1.
What is the InChIKey of 5-methyl-1,2-dihydropyridin-1-ium?
The InChIKey is NVBVHODKXHXMFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2-3,5,7H,4H2,1H3/p+1.
What are the key properties of 5-methyl-1,2-dihydropyridin-1-ium?
5-methyl-1,2-dihydropyridin-1-ium has a molecular weight of 96.15 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-dihydropyridin-1-ium is sourced from PubChem (CID 54569648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).