1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol

C11H15NO2 — CID 105110251

IUPAC1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol
SMILESCOc1ncccc1C(O)C=C(C)C
InChIInChI=1S/C11H15NO2/c1-8(2)7-10(13)9-5-4-6-12-11(9)14-3/h4-7,10,13H,1-3H3
InChIKeyGFEJBZBROAXQBL-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.09
Rot. Bonds3

About 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol

1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol (PubChem CID 105110251) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol
PubChem CID105110251
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol
SMILESCOc1ncccc1C(O)C=C(C)C
InChIInChI=1S/C11H15NO2/c1-8(2)7-10(13)9-5-4-6-12-11(9)14-3/h4-7,10,13H,1-3H3
InChIKeyGFEJBZBROAXQBL-UHFFFAOYSA-N
XLogP2.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one
CID 55295483
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095
(4-methoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 22934973
(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 131218927
2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol
CID 105100853
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
3-butan-2-yl-2-methoxypyridine
CID 130368185
(3,5-dimethylcyclohexyl)-(2-methoxy-3-pyridinyl)methanol
CID 105102871
4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol
CID 171893593

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol (CID 105110251) is 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol is COc1ncccc1C(O)C=C(C)C.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol?
The InChIKey is GFEJBZBROAXQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)7-10(13)9-5-4-6-12-11(9)14-3/h4-7,10,13H,1-3H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol?
1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol has a molecular weight of 193.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol is sourced from PubChem (CID 105110251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).