4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine

C12H17NO — CID 132561521

IUPAC4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine
SMILESCOC(C(C)=C(C)C)c1ccncc1
InChIInChI=1S/C12H17NO/c1-9(2)10(3)12(14-4)11-5-7-13-8-6-11/h5-8,12H,1-4H3
InChIKeyBMVQUDBBOCNYNJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.13
Rot. Bonds3

About 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine

4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine (PubChem CID 132561521) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine.

Molecular Properties

Compound Name4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine
PubChem CID132561521
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine
SMILESCOC(C(C)=C(C)C)c1ccncc1
InChIInChI=1S/C12H17NO/c1-9(2)10(3)12(14-4)11-5-7-13-8-6-11/h5-8,12H,1-4H3
InChIKeyBMVQUDBBOCNYNJ-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
CID 154975976
4-(dimethoxymethylsulfanyl)pyridine
CID 162523368
trimethoxy(1-pyridin-4-ylethyl)silane
CID 66657112
1,3-dipyridin-4-ylpropane-1,3-diol
CID 153433085
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
3-methyl-1-pyridin-4-ylbut-2-en-1-ol
CID 79190562
[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate
CID 43817599
1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one
CID 83224446
N-[(1R)-1-pyridin-4-ylpropyl]hydroxylamine
CID 130707242
O-(1-pyridin-4-ylethyl)hydroxylamine
CID 102548796
methyl 2-(dimethylamino)-2-pyridin-4-ylacetate
CID 116857149

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine?
The IUPAC name of 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine (CID 132561521) is 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine.
What is the SMILES notation for 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine?
The canonical SMILES for 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine is COC(C(C)=C(C)C)c1ccncc1.
What is the InChIKey of 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine?
The InChIKey is BMVQUDBBOCNYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)10(3)12(14-4)11-5-7-13-8-6-11/h5-8,12H,1-4H3.
What are the key properties of 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine?
4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine has a molecular weight of 191.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine is sourced from PubChem (CID 132561521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).