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

C7H13NO — CID 6421688

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESOCCN1CC=CCC1
InChIInChI=1S/C7H13NO/c9-7-6-8-4-2-1-3-5-8/h1-2,9H,3-7H2
InChIKeyDSQFXKXMBMNHFV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.24
Rot. Bonds2

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

2-(3,6-dihydro-2H-pyridin-1-yl)ethanol (PubChem CID 6421688) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)ethanol
PubChem CID6421688
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESOCCN1CC=CCC1
InChIInChI=1S/C7H13NO/c9-7-6-8-4-2-1-3-5-8/h1-2,9H,3-7H2
InChIKeyDSQFXKXMBMNHFV-UHFFFAOYSA-N
XLogP0.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.24
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-(3,6-dihydro-2H-pyridin-1-yl)ethanol?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanol (CID 6421688) is 2-(3,6-dihydro-2H-pyridin-1-yl)ethanol.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)ethanol?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)ethanol is OCCN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanol?
The InChIKey is DSQFXKXMBMNHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-6-8-4-2-1-3-5-8/h1-2,9H,3-7H2.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanol?
2-(3,6-dihydro-2H-pyridin-1-yl)ethanol has a molecular weight of 127.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)ethanol is sourced from PubChem (CID 6421688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).