(1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate

C19H20N2O — CID 10541691

IUPAC(1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate
SMILESCc1ccc(/C([O-])=N/[n+]2ccc(C3CC=CCC3)cc2)cc1
InChIInChI=1S/C19H20N2O/c1-15-7-9-18(10-8-15)19(22)20-21-13-11-17(12-14-21)16-5-3-2-4-6-16/h2-3,7-14,16H,4-6H2,1H3
InChIKeyQMRHKJWVGZXNGK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.68
Rot. Bonds3

About (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate

(1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate (PubChem CID 10541691) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate.

Molecular Properties

Compound Name(1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate
PubChem CID10541691
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate
SMILESCc1ccc(/C([O-])=N/[n+]2ccc(C3CC=CCC3)cc2)cc1
InChIInChI=1S/C19H20N2O/c1-15-7-9-18(10-8-15)19(22)20-21-13-11-17(12-14-21)16-5-3-2-4-6-16/h2-3,7-14,16H,4-6H2,1H3
InChIKeyQMRHKJWVGZXNGK-UHFFFAOYSA-N
XLogP2.68
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate 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 (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate?
The IUPAC name of (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate (CID 10541691) is (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate.
What is the SMILES notation for (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate?
The canonical SMILES for (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate is Cc1ccc(/C([O-])=N/[n+]2ccc(C3CC=CCC3)cc2)cc1.
What is the InChIKey of (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate?
The InChIKey is QMRHKJWVGZXNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-15-7-9-18(10-8-15)19(22)20-21-13-11-17(12-14-21)16-5-3-2-4-6-16/h2-3,7-14,16H,4-6H2,1H3.
What are the key properties of (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate?
(1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate has a molecular weight of 292.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate is sourced from PubChem (CID 10541691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).