3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile

C11H12N2O — CID 114470195

IUPAC3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile
SMILESC=C(C)CCOc1cccnc1C#N
InChIInChI=1S/C11H12N2O/c1-9(2)5-7-14-11-4-3-6-13-10(11)8-12/h3-4,6H,1,5,7H2,2H3
InChIKeyUEONRXJZPYHSDT-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.30
Rot. Bonds4

About 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile

3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile (PubChem CID 114470195) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile
PubChem CID114470195
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile
SMILESC=C(C)CCOc1cccnc1C#N
InChIInChI=1S/C11H12N2O/c1-9(2)5-7-14-11-4-3-6-13-10(11)8-12/h3-4,6H,1,5,7H2,2H3
InChIKeyUEONRXJZPYHSDT-UHFFFAOYSA-N
XLogP2.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(fluoromethoxy)pyridine-2-carbonitrile
CID 172801646
4-(3-methylbut-3-enoxy)naphthalene-1-carbonitrile
CID 114088515
4-methyl-3-(3-methylbut-3-enoxy)benzonitrile
CID 104922613
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955
3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871
4-(3-methylbut-3-enoxy)-3-(trifluoromethyl)benzonitrile
CID 114472632
3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894945
3-(2-cyclobutylpropoxy)pyridine-2-carbonitrile
CID 166238588
tert-butyl 2-(2-cyano-3-pyridinyl)acetate
CID 135394891
3-iodo-4-(3-methylbut-3-enoxy)pyridine
CID 10913227
5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile (CID 114470195) is 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile is C=C(C)CCOc1cccnc1C#N.
What is the InChIKey of 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile?
The InChIKey is UEONRXJZPYHSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(2)5-7-14-11-4-3-6-13-10(11)8-12/h3-4,6H,1,5,7H2,2H3.
What are the key properties of 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile?
3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-3-enoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 114470195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).