5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine

C13H19NO — CID 129083849

IUPAC5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine
SMILESC=C1C(C)=CC(OC)=CN1C(C)=C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)11(4)14-8-13(15-6)7-10(3)12(14)5/h7-8H,5H2,1-4,6H3
InChIKeyYVOWLUBRTARQKF-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.56
Rot. Bonds2

About 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine

5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine (PubChem CID 129083849) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine.

Molecular Properties

Compound Name5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine
PubChem CID129083849
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine
SMILESC=C1C(C)=CC(OC)=CN1C(C)=C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)11(4)14-8-13(15-6)7-10(3)12(14)5/h7-8H,5H2,1-4,6H3
InChIKeyYVOWLUBRTARQKF-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine?
The IUPAC name of 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine (CID 129083849) is 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine.
What is the SMILES notation for 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine?
The canonical SMILES for 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine is C=C1C(C)=CC(OC)=CN1C(C)=C(C)C.
What is the InChIKey of 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine?
The InChIKey is YVOWLUBRTARQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)11(4)14-8-13(15-6)7-10(3)12(14)5/h7-8H,5H2,1-4,6H3.
What are the key properties of 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine?
5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine has a molecular weight of 205.30 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine is sourced from PubChem (CID 129083849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).