2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene

C14H13N — CID 18779822

IUPAC2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene
SMILESC=Cc1ccccn1.Cc1ccc2cc1-2
InChIInChI=1S/C7H7N.C7H6/c1-2-7-5-3-4-6-8-7;1-5-2-3-6-4-7(5)6/h2-6H,1H2;2-4H,1H3
InChIKeyGDYYWSCTTYNQJU-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.70
Rot. Bonds1

About 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene

2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 18779822) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound Name2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID18779822
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene
SMILESC=Cc1ccccn1.Cc1ccc2cc1-2
InChIInChI=1S/C7H7N.C7H6/c1-2-7-5-3-4-6-8-7;1-5-2-3-6-4-7(5)6/h2-6H,1H2;2-4H,1H3
InChIKeyGDYYWSCTTYNQJU-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene (CID 18779822) is 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene is C=Cc1ccccn1.Cc1ccc2cc1-2.
What is the InChIKey of 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is GDYYWSCTTYNQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.C7H6/c1-2-7-5-3-4-6-8-7;1-5-2-3-6-4-7(5)6/h2-6H,1H2;2-4H,1H3.
What are the key properties of 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene?
2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 195.26 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpyridine;2-methylbicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 18779822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).