1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol

C8H15NO — CID 59861747

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol
SMILESCC(O)C1=CCCN(C)C1
InChIInChI=1S/C8H15NO/c1-7(10)8-4-3-5-9(2)6-8/h4,7,10H,3,5-6H2,1-2H3
InChIKeyMWEWIKKZVFGASK-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds1

About 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol (PubChem CID 59861747) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol
PubChem CID59861747
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol
SMILESCC(O)C1=CCCN(C)C1
InChIInChI=1S/C8H15NO/c1-7(10)8-4-3-5-9(2)6-8/h4,7,10H,3,5-6H2,1-2H3
InChIKeyMWEWIKKZVFGASK-UHFFFAOYSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol (CID 59861747) is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol is CC(O)C1=CCCN(C)C1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol?
The InChIKey is MWEWIKKZVFGASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(10)8-4-3-5-9(2)6-8/h4,7,10H,3,5-6H2,1-2H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol?
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 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-5-yl)ethanol is sourced from PubChem (CID 59861747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).