methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride

C8H14ClNO2 — CID 155822005

IUPACmethyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)C1(C)C=CCCN1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-8(7(10)11-2)5-3-4-6-9-8;/h3,5,9H,4,6H2,1-2H3;1H
InChIKeyYIZSCBCOEBLICP-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.89
Rot. Bonds1

About methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride

methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride (PubChem CID 155822005) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride
PubChem CID155822005
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namemethyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)C1(C)C=CCCN1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-8(7(10)11-2)5-3-4-6-9-8;/h3,5,9H,4,6H2,1-2H3;1H
InChIKeyYIZSCBCOEBLICP-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride 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 methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride?
The IUPAC name of methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride (CID 155822005) is methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride is COC(=O)C1(C)C=CCCN1.Cl.
What is the InChIKey of methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride?
The InChIKey is YIZSCBCOEBLICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-8(7(10)11-2)5-3-4-6-9-8;/h3,5,9H,4,6H2,1-2H3;1H.
What are the key properties of methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride?
methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate;hydrochloride is sourced from PubChem (CID 155822005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).