1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium

C17H20N+ — CID 162285099

IUPAC1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium
SMILESCc1cccc(-c2ccc(C3C[C@H]3C)[n+](C)c2)c1
InChIInChI=1S/C17H20N/c1-12-5-4-6-14(9-12)15-7-8-17(18(3)11-15)16-10-13(16)2/h4-9,11,13,16H,10H2,1-3H3/q+1/t13-,16?/m1/s1
InChIKeyILRYNQHHIQJTSH-JBZHPUCOSA-N
MW238.35 g/mol
LogP3.61
Rot. Bonds2

About 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium

1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium (PubChem CID 162285099) has the molecular formula C17H20N+ and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium
PubChem CID162285099
Molecular FormulaC17H20N+
Molecular Weight238.35 g/mol
Exact Mass238.16
IUPAC Name1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium
SMILESCc1cccc(-c2ccc(C3C[C@H]3C)[n+](C)c2)c1
InChIInChI=1S/C17H20N/c1-12-5-4-6-14(9-12)15-7-8-17(18(3)11-15)16-10-13(16)2/h4-9,11,13,16H,10H2,1-3H3/q+1/t13-,16?/m1/s1
InChIKeyILRYNQHHIQJTSH-JBZHPUCOSA-N
XLogP3.61
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium (CID 162285099) is 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium is Cc1cccc(-c2ccc(C3C[C@H]3C)[n+](C)c2)c1.
What is the InChIKey of 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium?
The InChIKey is ILRYNQHHIQJTSH-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H20N/c1-12-5-4-6-14(9-12)15-7-8-17(18(3)11-15)16-10-13(16)2/h4-9,11,13,16H,10H2,1-3H3/q+1/t13-,16?/m1/s1.
What are the key properties of 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium?
1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium has a molecular weight of 238.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2R)-2-methylcyclopropyl]-5-(3-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 162285099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).