1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride

C10H16ClNO — CID 117069152

IUPAC1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride
SMILESC#CCOCC1=CCCN(C)C1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-3-7-12-9-10-5-4-6-11(2)8-10;/h1,5H,4,6-9H2,2H3;1H
InChIKeyWIVGBUJFDBOZLK-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.32
Rot. Bonds3

About 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride

1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 117069152) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID117069152
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride
SMILESC#CCOCC1=CCCN(C)C1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-3-7-12-9-10-5-4-6-11(2)8-10;/h1,5H,4,6-9H2,2H3;1H
InChIKeyWIVGBUJFDBOZLK-UHFFFAOYSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride (CID 117069152) is 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride is C#CCOCC1=CCCN(C)C1.Cl.
What is the InChIKey of 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is WIVGBUJFDBOZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-3-7-12-9-10-5-4-6-11(2)8-10;/h1,5H,4,6-9H2,2H3;1H.
What are the key properties of 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride?
1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 117069152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).