3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol

C11H15NO — CID 104822971

IUPAC3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol
SMILESCC(C)=CC(O)c1ccc(C)nc1
InChIInChI=1S/C11H15NO/c1-8(2)6-11(13)10-5-4-9(3)12-7-10/h4-7,11,13H,1-3H3
InChIKeyKIRXTSSIAKROIQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.39
Rot. Bonds2

About 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol

3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol (PubChem CID 104822971) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol
PubChem CID104822971
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol
SMILESCC(C)=CC(O)c1ccc(C)nc1
InChIInChI=1S/C11H15NO/c1-8(2)6-11(13)10-5-4-9(3)12-7-10/h4-7,11,13H,1-3H3
InChIKeyKIRXTSSIAKROIQ-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-pyridin-4-ylbut-2-en-1-ol
CID 79190562
1-(3,4-dichlorophenyl)-3-methylbut-2-en-1-ol
CID 79191000
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol
CID 71750573
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
(2-methyl-4-pyridinyl)-(6-methyl-3-pyridinyl)methanol
CID 106756194
(6-methyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 63155454
1-(6-methyl-3-pyridinyl)propane-1,2,3-triol
CID 170817362
2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116710731
1-(6-methyl-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819362
(6-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105096831
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanol
CID 63895075

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol?
The IUPAC name of 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol (CID 104822971) is 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol.
What is the SMILES notation for 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol?
The canonical SMILES for 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol is CC(C)=CC(O)c1ccc(C)nc1.
What is the InChIKey of 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol?
The InChIKey is KIRXTSSIAKROIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)6-11(13)10-5-4-9(3)12-7-10/h4-7,11,13H,1-3H3.
What are the key properties of 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol?
3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol has a molecular weight of 177.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-3-pyridinyl)but-2-en-1-ol is sourced from PubChem (CID 104822971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).