5-methyl-2-[(E)-pent-2-enoxy]pyridine

C11H15NO — CID 122425875

IUPAC5-methyl-2-[(E)-pent-2-enoxy]pyridine
SMILESCC/C=C/COc1ccc(C)cn1
InChIInChI=1S/C11H15NO/c1-3-4-5-8-13-11-7-6-10(2)9-12-11/h4-7,9H,3,8H2,1-2H3/b5-4+
InChIKeyKMPFRYGXJJWYMD-SNAWJCMRSA-N
MW177.25 g/mol
LogP2.74
Rot. Bonds4

About 5-methyl-2-[(E)-pent-2-enoxy]pyridine

5-methyl-2-[(E)-pent-2-enoxy]pyridine (PubChem CID 122425875) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methyl-2-[(E)-pent-2-enoxy]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(E)-pent-2-enoxy]pyridine
PubChem CID122425875
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-methyl-2-[(E)-pent-2-enoxy]pyridine
SMILESCC/C=C/COc1ccc(C)cn1
InChIInChI=1S/C11H15NO/c1-3-4-5-8-13-11-7-6-10(2)9-12-11/h4-7,9H,3,8H2,1-2H3/b5-4+
InChIKeyKMPFRYGXJJWYMD-SNAWJCMRSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.74
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

ethyl (5-methyl-2-pyridinyl) carbonate
CID 70426723
2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine
CID 144739359
ethyl 4-[(5-methyl-2-pyridinyl)oxy]butanoate
CID 58878874
ethane;N-[3-[(5-methyl-2-pyridinyl)oxy]propyl]-N-methylsulfanylhydroxylamine
CID 143919286
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
2-[(3E)-hepta-1,3-dien-3-yl]oxy-5-methylpyridine
CID 143409117
5-[(5-methyl-2-pyridinyl)oxy]pyrimidine
CID 123816421
2-(3-ethylphenoxy)-5-methylpyridine
CID 135224750
2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methylpyridine
CID 177235281
ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
CID 142390979
5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine
CID 54300208
2,5-bis(prop-2-enoxy)pyridine
CID 18761916

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-pent-2-enoxy]pyridine?
The IUPAC name of 5-methyl-2-[(E)-pent-2-enoxy]pyridine (CID 122425875) is 5-methyl-2-[(E)-pent-2-enoxy]pyridine.
What is the SMILES notation for 5-methyl-2-[(E)-pent-2-enoxy]pyridine?
The canonical SMILES for 5-methyl-2-[(E)-pent-2-enoxy]pyridine is CC/C=C/COc1ccc(C)cn1.
What is the InChIKey of 5-methyl-2-[(E)-pent-2-enoxy]pyridine?
The InChIKey is KMPFRYGXJJWYMD-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-4-5-8-13-11-7-6-10(2)9-12-11/h4-7,9H,3,8H2,1-2H3/b5-4+.
What are the key properties of 5-methyl-2-[(E)-pent-2-enoxy]pyridine?
5-methyl-2-[(E)-pent-2-enoxy]pyridine has a molecular weight of 177.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-pent-2-enoxy]pyridine is sourced from PubChem (CID 122425875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).