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

C9H17NO — CID 102117012

IUPAC1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
SMILESCCN1CC=C(C(C)O)CC1
InChIInChI=1S/C9H17NO/c1-3-10-6-4-9(5-7-10)8(2)11/h4,8,11H,3,5-7H2,1-2H3
InChIKeyGHCJVPDPWJRCCB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds2

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

1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol (PubChem CID 102117012) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
PubChem CID102117012
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
SMILESCCN1CC=C(C(C)O)CC1
InChIInChI=1S/C9H17NO/c1-3-10-6-4-9(5-7-10)8(2)11/h4,8,11H,3,5-7H2,1-2H3
InChIKeyGHCJVPDPWJRCCB-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The IUPAC name of 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol (CID 102117012) is 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol.
What is the SMILES notation for 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The canonical SMILES for 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol is CCN1CC=C(C(C)O)CC1.
What is the InChIKey of 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
The InChIKey is GHCJVPDPWJRCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10-6-4-9(5-7-10)8(2)11/h4,8,11H,3,5-7H2,1-2H3.
What are the key properties of 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol?
1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol is sourced from PubChem (CID 102117012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).