2-ethenylpyridine;bis(2-methylbuta-1,3-diene)

C17H23N — CID 19427631

IUPAC2-ethenylpyridine;bis(2-methylbuta-1,3-diene)
SMILESC=CC(=C)C.C=CC(=C)C.C=Cc1ccccn1
InChIInChI=1S/C7H7N.2C5H8/c1-2-7-5-3-4-6-8-7;2*1-4-5(2)3/h2-6H,1H2;2*4H,1-2H2,3H3
InChIKeyBTGXDCCRHUOCIX-UHFFFAOYSA-N
MW241.38 g/mol
LogP5.22
Rot. Bonds3

About 2-ethenylpyridine;bis(2-methylbuta-1,3-diene)

2-ethenylpyridine;bis(2-methylbuta-1,3-diene) (PubChem CID 19427631) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-ethenylpyridine;bis(2-methylbuta-1,3-diene).

Molecular Properties

Compound Name2-ethenylpyridine;bis(2-methylbuta-1,3-diene)
PubChem CID19427631
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2-ethenylpyridine;bis(2-methylbuta-1,3-diene)
SMILESC=CC(=C)C.C=CC(=C)C.C=Cc1ccccn1
InChIInChI=1S/C7H7N.2C5H8/c1-2-7-5-3-4-6-8-7;2*1-4-5(2)3/h2-6H,1H2;2*4H,1-2H2,3H3
InChIKeyBTGXDCCRHUOCIX-UHFFFAOYSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylpyridine;bis(2-methylbuta-1,3-diene)?
The IUPAC name of 2-ethenylpyridine;bis(2-methylbuta-1,3-diene) (CID 19427631) is 2-ethenylpyridine;bis(2-methylbuta-1,3-diene).
What is the SMILES notation for 2-ethenylpyridine;bis(2-methylbuta-1,3-diene)?
The canonical SMILES for 2-ethenylpyridine;bis(2-methylbuta-1,3-diene) is C=CC(=C)C.C=CC(=C)C.C=Cc1ccccn1.
What is the InChIKey of 2-ethenylpyridine;bis(2-methylbuta-1,3-diene)?
The InChIKey is BTGXDCCRHUOCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.2C5H8/c1-2-7-5-3-4-6-8-7;2*1-4-5(2)3/h2-6H,1H2;2*4H,1-2H2,3H3.
What are the key properties of 2-ethenylpyridine;bis(2-methylbuta-1,3-diene)?
2-ethenylpyridine;bis(2-methylbuta-1,3-diene) has a molecular weight of 241.38 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpyridine;bis(2-methylbuta-1,3-diene) is sourced from PubChem (CID 19427631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).