2-methyl-6-pent-4-enoxypyridine-4-carbonitrile

C12H14N2O — CID 114766957

IUPAC2-methyl-6-pent-4-enoxypyridine-4-carbonitrile
SMILESC=CCCCOc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H14N2O/c1-3-4-5-6-15-12-8-11(9-13)7-10(2)14-12/h3,7-8H,1,4-6H2,2H3
InChIKeyKSJGLNCNAJSJBG-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.61
Rot. Bonds5

About 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile

2-methyl-6-pent-4-enoxypyridine-4-carbonitrile (PubChem CID 114766957) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-pent-4-enoxypyridine-4-carbonitrile
PubChem CID114766957
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-methyl-6-pent-4-enoxypyridine-4-carbonitrile
SMILESC=CCCCOc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H14N2O/c1-3-4-5-6-15-12-8-11(9-13)7-10(2)14-12/h3,7-8H,1,4-6H2,2H3
InChIKeyKSJGLNCNAJSJBG-UHFFFAOYSA-N
XLogP2.61
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(3-methylbut-3-enoxy)pyridine-4-carbonitrile
CID 114766998
2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
CID 114770421
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
CID 114766986
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
CID 114766974
2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
CID 114766899
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbonitrile
CID 114766792
2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride
CID 158177882
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carbonitrile
CID 114766908
2-(furan-2-ylmethoxy)-6-methylpyridine-4-carbonitrile
CID 114766756
2-chloro-6-heptoxypyridine-4-carbonitrile
CID 83073210
2-pent-4-enoxy-4,6-bis(prop-2-enyl)pyridine
CID 139671893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile (CID 114766957) is 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile is C=CCCCOc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile?
The InChIKey is KSJGLNCNAJSJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-4-5-6-15-12-8-11(9-13)7-10(2)14-12/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile?
2-methyl-6-pent-4-enoxypyridine-4-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pent-4-enoxypyridine-4-carbonitrile is sourced from PubChem (CID 114766957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).