1-prop-2-enylpyridine-4-selone

C8H9NSe — CID 15398692

IUPAC1-prop-2-enylpyridine-4-selone
SMILESC=CCn1ccc(=[Se])cc1
InChIInChI=1S/C8H9NSe/c1-2-5-9-6-3-8(10)4-7-9/h2-4,6-7H,1,5H2
InChIKeyUUNSQBKJZJKJRN-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.37
Rot. Bonds2

About 1-prop-2-enylpyridine-4-selone

1-prop-2-enylpyridine-4-selone (PubChem CID 15398692) has the molecular formula C8H9NSe and a molecular weight of 198.13 g/mol. Its IUPAC name is 1-prop-2-enylpyridine-4-selone.

Molecular Properties

Compound Name1-prop-2-enylpyridine-4-selone
PubChem CID15398692
Molecular FormulaC8H9NSe
Molecular Weight198.13 g/mol
Exact Mass198.99
IUPAC Name1-prop-2-enylpyridine-4-selone
SMILESC=CCn1ccc(=[Se])cc1
InChIInChI=1S/C8H9NSe/c1-2-5-9-6-3-8(10)4-7-9/h2-4,6-7H,1,5H2
InChIKeyUUNSQBKJZJKJRN-UHFFFAOYSA-N
XLogP1.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyridine-4-selone?
The IUPAC name of 1-prop-2-enylpyridine-4-selone (CID 15398692) is 1-prop-2-enylpyridine-4-selone.
What is the SMILES notation for 1-prop-2-enylpyridine-4-selone?
The canonical SMILES for 1-prop-2-enylpyridine-4-selone is C=CCn1ccc(=[Se])cc1.
What is the InChIKey of 1-prop-2-enylpyridine-4-selone?
The InChIKey is UUNSQBKJZJKJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NSe/c1-2-5-9-6-3-8(10)4-7-9/h2-4,6-7H,1,5H2.
What are the key properties of 1-prop-2-enylpyridine-4-selone?
1-prop-2-enylpyridine-4-selone has a molecular weight of 198.13 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyridine-4-selone is sourced from PubChem (CID 15398692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).