propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate

C11H19NO2 — CID 134994183

IUPACpropyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCOC(=O)N1CCC(C)=C(C)C1
InChIInChI=1S/C11H19NO2/c1-4-7-14-11(13)12-6-5-9(2)10(3)8-12/h4-8H2,1-3H3
InChIKeyCXUBLVPAAORAFP-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.58
Rot. Bonds2

About propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate

propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134994183) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID134994183
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namepropyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCOC(=O)N1CCC(C)=C(C)C1
InChIInChI=1S/C11H19NO2/c1-4-7-14-11(13)12-6-5-9(2)10(3)8-12/h4-8H2,1-3H3
InChIKeyCXUBLVPAAORAFP-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate 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 propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 134994183) is propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate is CCCOC(=O)N1CCC(C)=C(C)C1.
What is the InChIKey of propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is CXUBLVPAAORAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-7-14-11(13)12-6-5-9(2)10(3)8-12/h4-8H2,1-3H3.
What are the key properties of propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate?
propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134994183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).