1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium

C7H11N2+ — CID 146164163

IUPAC1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium
SMILESC[N+](C)=C1[C-]=C[NH2+]C=C1
InChIInChI=1S/C7H9N2/c1-9(2)7-3-5-8-6-4-7/h3,5-6H,1-2H3/q-1/p+2
InChIKeyXTOYOOLQQVYVDB-UHFFFAOYSA-P
MW123.18 g/mol
LogP-0.89
Rot. Bonds

About 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium

1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium (PubChem CID 146164163) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium.

Molecular Properties

Compound Name1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium
PubChem CID146164163
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium
SMILESC[N+](C)=C1[C-]=C[NH2+]C=C1
InChIInChI=1S/C7H9N2/c1-9(2)7-3-5-8-6-4-7/h3,5-6H,1-2H3/q-1/p+2
InChIKeyXTOYOOLQQVYVDB-UHFFFAOYSA-P
XLogP-0.89
TPSA19.62 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium?
The IUPAC name of 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium (CID 146164163) is 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium.
What is the SMILES notation for 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium?
The canonical SMILES for 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium is C[N+](C)=C1[C-]=C[NH2+]C=C1.
What is the InChIKey of 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium?
The InChIKey is XTOYOOLQQVYVDB-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H9N2/c1-9(2)7-3-5-8-6-4-7/h3,5-6H,1-2H3/q-1/p+2.
What are the key properties of 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium?
1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium has a molecular weight of 123.18 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium is sourced from PubChem (CID 146164163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).