(2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol

C10H19NO2 — CID 70689426

IUPAC(2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
SMILESCCCCN1CC=C[C@@H](O)[C@H]1CO
InChIInChI=1S/C10H19NO2/c1-2-3-6-11-7-4-5-10(13)9(11)8-12/h4-5,9-10,12-13H,2-3,6-8H2,1H3/t9-,10-/m1/s1
InChIKeyNHPSLFSVHQQWQU-NXEZZACHSA-N
MW185.27 g/mol
LogP0.38
Rot. Bonds4

About (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol

(2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 70689426) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name(2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
PubChem CID70689426
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
SMILESCCCCN1CC=C[C@@H](O)[C@H]1CO
InChIInChI=1S/C10H19NO2/c1-2-3-6-11-7-4-5-10(13)9(11)8-12/h4-5,9-10,12-13H,2-3,6-8H2,1H3/t9-,10-/m1/s1
InChIKeyNHPSLFSVHQQWQU-NXEZZACHSA-N
XLogP0.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol (CID 70689426) is (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol is CCCCN1CC=C[C@@H](O)[C@H]1CO.
What is the InChIKey of (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is NHPSLFSVHQQWQU-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-6-11-7-4-5-10(13)9(11)8-12/h4-5,9-10,12-13H,2-3,6-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol?
(2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 185.27 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 70689426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).