1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium

C13H16N+ — CID 13359073

IUPAC1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium
SMILESCC1=C(c2ccccc2)CC[N+](C)=C1
InChIInChI=1S/C13H16N/c1-11-10-14(2)9-8-13(11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/q+1
InChIKeyHXJWZSNAVRSYKK-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.58
Rot. Bonds1

About 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium

1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium (PubChem CID 13359073) has the molecular formula C13H16N+ and a molecular weight of 186.28 g/mol. Its IUPAC name is 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium
PubChem CID13359073
Molecular FormulaC13H16N+
Molecular Weight186.28 g/mol
Exact Mass186.13
IUPAC Name1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium
SMILESCC1=C(c2ccccc2)CC[N+](C)=C1
InChIInChI=1S/C13H16N/c1-11-10-14(2)9-8-13(11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/q+1
InChIKeyHXJWZSNAVRSYKK-UHFFFAOYSA-N
XLogP2.58
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-phenylcyclopent-3-en-1-one
CID 58657939
(2-bromocyclobuten-1-yl)benzene
CID 582401
1-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-1-ium
CID 3286883
(1Z)-1,2-diphenylcyclododecene
CID 5378897
2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene
CID 173366752
(2-bromocyclopenten-1-yl)benzene
CID 22917403
5-methyl-4-phenyl-1,3-dihydropyrrol-2-one
CID 11469349
1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine
CID 141290372
5-methyl-4-phenyl-3,6-dihydro-2H-oxazine
CID 23257169
benzene;1,1'-biphenyl;ethane
CID 158550617
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
CID 142736509

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium?
The IUPAC name of 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium (CID 13359073) is 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium.
What is the SMILES notation for 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium?
The canonical SMILES for 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium is CC1=C(c2ccccc2)CC[N+](C)=C1.
What is the InChIKey of 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium?
The InChIKey is HXJWZSNAVRSYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N/c1-11-10-14(2)9-8-13(11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/q+1.
What are the key properties of 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium?
1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium has a molecular weight of 186.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium is sourced from PubChem (CID 13359073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).