1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium

C13H18N+ — CID 123305578

IUPAC1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium
SMILESCC1C=CC=CC1C1CC=CC=[N+]1C
InChIInChI=1S/C13H18N/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2/h3-8,10-13H,9H2,1-2H3/q+1
InChIKeyUXEURIVYSQLISS-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.41
Rot. Bonds1

About 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium

1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium (PubChem CID 123305578) has the molecular formula C13H18N+ and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium
PubChem CID123305578
Molecular FormulaC13H18N+
Molecular Weight188.29 g/mol
Exact Mass188.14
IUPAC Name1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium
SMILESCC1C=CC=CC1C1CC=CC=[N+]1C
InChIInChI=1S/C13H18N/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2/h3-8,10-13H,9H2,1-2H3/q+1
InChIKeyUXEURIVYSQLISS-UHFFFAOYSA-N
XLogP2.41
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.41
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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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
N-[(E)-Methyl](phenyl)-N-[(E)-2-propenylidene]methanaminium
CID 137349817
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
CID 89017650
(Z,4S,5Z)-5-ethylidene-N,N,4-trimethyl-8-methyliminooct-6-en-1-amine
CID 89839678
N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine
CID 91595441
(1S)-1-methyl-1,7,8,8a-tetrahydroisoquinoline
CID 118258601
N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine
CID 118616768
3-Methyl-2-pentan-3-yl-2,3-dihydropyridine
CID 123980008
2-Ethyl-3-propan-2-yl-2,3-dihydropyridine
CID 129093497
(3S)-3-ethyl-2-propyl-2,3-dihydropyridine
CID 130217134
2-Methyl-3-propan-2-yl-2,3-dihydropyridine
CID 134320651

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium?
The IUPAC name of 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium (CID 123305578) is 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium?
The canonical SMILES for 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium is CC1C=CC=CC1C1CC=CC=[N+]1C.
What is the InChIKey of 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium?
The InChIKey is UXEURIVYSQLISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2/h3-8,10-13H,9H2,1-2H3/q+1.
What are the key properties of 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium?
1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium has a molecular weight of 188.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydropyridin-1-ium is sourced from PubChem (CID 123305578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).