5-imidazol-1-yl-2-prop-1-en-2-ylpyridine

C11H11N3 — CID 163257634

IUPAC5-imidazol-1-yl-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccc(-n2ccnc2)cn1
InChIInChI=1S/C11H11N3/c1-9(2)11-4-3-10(7-13-11)14-6-5-12-8-14/h3-8H,1H2,2H3
InChIKeyYOIHAFNENRRIKB-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.30
Rot. Bonds2

About 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine

5-imidazol-1-yl-2-prop-1-en-2-ylpyridine (PubChem CID 163257634) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name5-imidazol-1-yl-2-prop-1-en-2-ylpyridine
PubChem CID163257634
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name5-imidazol-1-yl-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccc(-n2ccnc2)cn1
InChIInChI=1S/C11H11N3/c1-9(2)11-4-3-10(7-13-11)14-6-5-12-8-14/h3-8H,1H2,2H3
InChIKeyYOIHAFNENRRIKB-UHFFFAOYSA-N
XLogP2.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine?
The IUPAC name of 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine (CID 163257634) is 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine is C=C(C)c1ccc(-n2ccnc2)cn1.
What is the InChIKey of 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine?
The InChIKey is YOIHAFNENRRIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-9(2)11-4-3-10(7-13-11)14-6-5-12-8-14/h3-8H,1H2,2H3.
What are the key properties of 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine?
5-imidazol-1-yl-2-prop-1-en-2-ylpyridine has a molecular weight of 185.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 163257634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).