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

4-Hydroxymethylpyridine
CID 11472
alpha-Methyl-3-pyridinemethanol
CID 101192
alpha-Phenyl-4-pyridinemethanol
CID 98305
4-Pyridinecarboxaldehyde, O-(phenylmethyl)oxime
CID 96307
4-(2-Ethoxyethyl)pyridine
CID 232544
(Pyridin-3-yl)methyl acetate
CID 295656
o-Benzylnicotinaldoxime
CID 248756
3-[(Piperidin-3-yloxy)methyl]pyridine
CID 45786849
Isonicotinic acid, hexyl ester
CID 531656
Sad-128
CID 162008
3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine
CID 2796523
alpha-Methyl-4-pyridinemethanol
CID 90919

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).