2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine

C11H14N2O2 — CID 104823182

IUPAC2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
SMILESCc1ccc(/C=C(/C(C)C)[N+](=O)[O-])cn1
InChIInChI=1S/C11H14N2O2/c1-8(2)11(13(14)15)6-10-5-4-9(3)12-7-10/h4-8H,1-3H3/b11-6-
InChIKeyCJVLYYGDTAFRCC-WDZFZDKYSA-N
MW206.24 g/mol
LogP2.66
Rot. Bonds3

About 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine

2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine (PubChem CID 104823182) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
PubChem CID104823182
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
SMILESCc1ccc(/C=C(/C(C)C)[N+](=O)[O-])cn1
InChIInChI=1S/C11H14N2O2/c1-8(2)11(13(14)15)6-10-5-4-9(3)12-7-10/h4-8H,1-3H3/b11-6-
InChIKeyCJVLYYGDTAFRCC-WDZFZDKYSA-N
XLogP2.66
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine 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 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine?
The IUPAC name of 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine (CID 104823182) is 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine.
What is the SMILES notation for 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine?
The canonical SMILES for 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine is Cc1ccc(/C=C(/C(C)C)[N+](=O)[O-])cn1.
What is the InChIKey of 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine?
The InChIKey is CJVLYYGDTAFRCC-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(2)11(13(14)15)6-10-5-4-9(3)12-7-10/h4-8H,1-3H3/b11-6-.
What are the key properties of 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine?
2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine has a molecular weight of 206.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine is sourced from PubChem (CID 104823182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).