ethane;5-ethenyl-4-methoxy-2-methylpyridine

C13H23NO — CID 144977099

IUPACethane;5-ethenyl-4-methoxy-2-methylpyridine
SMILESC=Cc1cnc(C)cc1OC.CC.CC
InChIInChI=1S/C9H11NO.2C2H6/c1-4-8-6-10-7(2)5-9(8)11-3;2*1-2/h4-6H,1H2,2-3H3;2*1-2H3
InChIKeyXPDLWDVLPQLYNR-UHFFFAOYSA-N
MW209.33 g/mol
LogP4.09
Rot. Bonds2

About ethane;5-ethenyl-4-methoxy-2-methylpyridine

ethane;5-ethenyl-4-methoxy-2-methylpyridine (PubChem CID 144977099) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;5-ethenyl-4-methoxy-2-methylpyridine.

Molecular Properties

Compound Nameethane;5-ethenyl-4-methoxy-2-methylpyridine
PubChem CID144977099
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;5-ethenyl-4-methoxy-2-methylpyridine
SMILESC=Cc1cnc(C)cc1OC.CC.CC
InChIInChI=1S/C9H11NO.2C2H6/c1-4-8-6-10-7(2)5-9(8)11-3;2*1-2/h4-6H,1H2,2-3H3;2*1-2H3
InChIKeyXPDLWDVLPQLYNR-UHFFFAOYSA-N
XLogP4.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-methoxy-2-methylpyridine?
The IUPAC name of ethane;5-ethenyl-4-methoxy-2-methylpyridine (CID 144977099) is ethane;5-ethenyl-4-methoxy-2-methylpyridine.
What is the SMILES notation for ethane;5-ethenyl-4-methoxy-2-methylpyridine?
The canonical SMILES for ethane;5-ethenyl-4-methoxy-2-methylpyridine is C=Cc1cnc(C)cc1OC.CC.CC.
What is the InChIKey of ethane;5-ethenyl-4-methoxy-2-methylpyridine?
The InChIKey is XPDLWDVLPQLYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.2C2H6/c1-4-8-6-10-7(2)5-9(8)11-3;2*1-2/h4-6H,1H2,2-3H3;2*1-2H3.
What are the key properties of ethane;5-ethenyl-4-methoxy-2-methylpyridine?
ethane;5-ethenyl-4-methoxy-2-methylpyridine has a molecular weight of 209.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-methoxy-2-methylpyridine is sourced from PubChem (CID 144977099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).