2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol

C9H17NO — CID 130124494

IUPAC2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESCCC1=CCN(CCO)CC1
InChIInChI=1S/C9H17NO/c1-2-9-3-5-10(6-4-9)7-8-11/h3,11H,2,4-8H2,1H3
InChIKeyFNMSVEPHXLQTOG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol

2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol (PubChem CID 130124494) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
PubChem CID130124494
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESCCC1=CCN(CCO)CC1
InChIInChI=1S/C9H17NO/c1-2-9-3-5-10(6-4-9)7-8-11/h3,11H,2,4-8H2,1H3
InChIKeyFNMSVEPHXLQTOG-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The IUPAC name of 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol (CID 130124494) is 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol.
What is the SMILES notation for 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The canonical SMILES for 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol is CCC1=CCN(CCO)CC1.
What is the InChIKey of 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The InChIKey is FNMSVEPHXLQTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-9-3-5-10(6-4-9)7-8-11/h3,11H,2,4-8H2,1H3.
What are the key properties of 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethanol is sourced from PubChem (CID 130124494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).