3,6-dihydro-2H-pyridin-1-ylmethanol

C6H11NO — CID 23339028

IUPAC3,6-dihydro-2H-pyridin-1-ylmethanol
SMILESOCN1CC=CCC1
InChIInChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h1-2,8H,3-6H2
InChIKeyTZKFLTGXSSZNLW-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.20
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-ylmethanol

3,6-dihydro-2H-pyridin-1-ylmethanol (PubChem CID 23339028) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-ylmethanol.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-ylmethanol
PubChem CID23339028
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3,6-dihydro-2H-pyridin-1-ylmethanol
SMILESOCN1CC=CCC1
InChIInChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h1-2,8H,3-6H2
InChIKeyTZKFLTGXSSZNLW-UHFFFAOYSA-N
XLogP0.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.20
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 3,6-dihydro-2H-pyridin-1-ylmethanol?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-ylmethanol (CID 23339028) is 3,6-dihydro-2H-pyridin-1-ylmethanol.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-ylmethanol?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-ylmethanol is OCN1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-ylmethanol?
The InChIKey is TZKFLTGXSSZNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h1-2,8H,3-6H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-ylmethanol?
3,6-dihydro-2H-pyridin-1-ylmethanol has a molecular weight of 113.16 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-ylmethanol is sourced from PubChem (CID 23339028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).