(3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol

C6H11NO — CID 146628666

IUPAC(3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol
SMILESCN1CC=C[C@H](O)C1
InChIInChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1
InChIKeyGLDHZKQYHDFALD-LURJTMIESA-N
MW113.16 g/mol
LogP-0.15
Rot. Bonds

About (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol

(3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 146628666) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name(3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol
PubChem CID146628666
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol
SMILESCN1CC=C[C@H](O)C1
InChIInChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1
InChIKeyGLDHZKQYHDFALD-LURJTMIESA-N
XLogP-0.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol (CID 146628666) is (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol is CN1CC=C[C@H](O)C1.
What is the InChIKey of (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is GLDHZKQYHDFALD-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol?
(3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 113.16 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 146628666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).