1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride

C8H14ClNO — CID 53299321

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride
SMILESCC(=O)C1=CCN(C)CC1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-7(10)8-3-5-9(2)6-4-8;/h3H,4-6H2,1-2H3;1H
InChIKeyYDSDVEHFFRMDOK-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.26
Rot. Bonds1

About 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride

1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride (PubChem CID 53299321) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride
PubChem CID53299321
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride
SMILESCC(=O)C1=CCN(C)CC1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-7(10)8-3-5-9(2)6-4-8;/h3H,4-6H2,1-2H3;1H
InChIKeyYDSDVEHFFRMDOK-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride (CID 53299321) is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride is CC(=O)C1=CCN(C)CC1.Cl.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride?
The InChIKey is YDSDVEHFFRMDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c1-7(10)8-3-5-9(2)6-4-8;/h3H,4-6H2,1-2H3;1H.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride?
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 53299321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).