(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol

C8H15NO — CID 23564082

IUPAC(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol
SMILESCCN1CCC=C(CO)C1
InChIInChI=1S/C8H15NO/c1-2-9-5-3-4-8(6-9)7-10/h4,10H,2-3,5-7H2,1H3
InChIKeyIWHJUPRUYNOEPT-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds2

About (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol

(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol (PubChem CID 23564082) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol
PubChem CID23564082
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol
SMILESCCN1CCC=C(CO)C1
InChIInChI=1S/C8H15NO/c1-2-9-5-3-4-8(6-9)7-10/h4,10H,2-3,5-7H2,1H3
InChIKeyIWHJUPRUYNOEPT-UHFFFAOYSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol?
The IUPAC name of (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol (CID 23564082) is (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol.
What is the SMILES notation for (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol?
The canonical SMILES for (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol is CCN1CCC=C(CO)C1.
What is the InChIKey of (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol?
The InChIKey is IWHJUPRUYNOEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-5-3-4-8(6-9)7-10/h4,10H,2-3,5-7H2,1H3.
What are the key properties of (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol?
(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol is sourced from PubChem (CID 23564082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).