4-methyl-1,2-dihydropyridin-1-ium

C6H10N+ — CID 57322328

IUPAC4-methyl-1,2-dihydropyridin-1-ium
SMILESCC1=CC[NH2+]C=C1
InChIInChI=1S/C6H9N/c1-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3/p+1
InChIKeyXKRRGRKWUWTEKP-UHFFFAOYSA-O
MW96.15 g/mol
LogP0.02
Rot. Bonds

About 4-methyl-1,2-dihydropyridin-1-ium

4-methyl-1,2-dihydropyridin-1-ium (PubChem CID 57322328) has the molecular formula C6H10N+ and a molecular weight of 96.15 g/mol. Its IUPAC name is 4-methyl-1,2-dihydropyridin-1-ium.

Molecular Properties

Compound Name4-methyl-1,2-dihydropyridin-1-ium
PubChem CID57322328
Molecular FormulaC6H10N+
Molecular Weight96.15 g/mol
Exact Mass96.08
IUPAC Name4-methyl-1,2-dihydropyridin-1-ium
SMILESCC1=CC[NH2+]C=C1
InChIInChI=1S/C6H9N/c1-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3/p+1
InChIKeyXKRRGRKWUWTEKP-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-dihydropyridin-1-ium?
The IUPAC name of 4-methyl-1,2-dihydropyridin-1-ium (CID 57322328) is 4-methyl-1,2-dihydropyridin-1-ium.
What is the SMILES notation for 4-methyl-1,2-dihydropyridin-1-ium?
The canonical SMILES for 4-methyl-1,2-dihydropyridin-1-ium is CC1=CC[NH2+]C=C1.
What is the InChIKey of 4-methyl-1,2-dihydropyridin-1-ium?
The InChIKey is XKRRGRKWUWTEKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9N/c1-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3/p+1.
What are the key properties of 4-methyl-1,2-dihydropyridin-1-ium?
4-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 4-methyl-1,2-dihydropyridin-1-ium is sourced from PubChem (CID 57322328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).