(Z)-2-phenylselanylbut-2-enal

C10H10OSe — CID 12518100

IUPAC(Z)-2-phenylselanylbut-2-enal
SMILESC/C=C(/C=O)[Se]c1ccccc1
InChIInChI=1S/C10H10OSe/c1-2-9(8-11)12-10-6-4-3-5-7-10/h2-8H,1H3/b9-2-
InChIKeyUCWGURHPLOBPME-MBXJOHMKSA-N
MW225.15 g/mol
LogP1.12
Rot. Bonds3

About (Z)-2-phenylselanylbut-2-enal

(Z)-2-phenylselanylbut-2-enal (PubChem CID 12518100) has the molecular formula C10H10OSe and a molecular weight of 225.15 g/mol. Its IUPAC name is (Z)-2-phenylselanylbut-2-enal.

Molecular Properties

Compound Name(Z)-2-phenylselanylbut-2-enal
PubChem CID12518100
Molecular FormulaC10H10OSe
Molecular Weight225.15 g/mol
Exact Mass225.99
IUPAC Name(Z)-2-phenylselanylbut-2-enal
SMILESC/C=C(/C=O)[Se]c1ccccc1
InChIInChI=1S/C10H10OSe/c1-2-9(8-11)12-10-6-4-3-5-7-10/h2-8H,1H3/b9-2-
InChIKeyUCWGURHPLOBPME-MBXJOHMKSA-N
XLogP1.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenylselanylbut-2-enal?
The IUPAC name of (Z)-2-phenylselanylbut-2-enal (CID 12518100) is (Z)-2-phenylselanylbut-2-enal.
What is the SMILES notation for (Z)-2-phenylselanylbut-2-enal?
The canonical SMILES for (Z)-2-phenylselanylbut-2-enal is C/C=C(/C=O)[Se]c1ccccc1.
What is the InChIKey of (Z)-2-phenylselanylbut-2-enal?
The InChIKey is UCWGURHPLOBPME-MBXJOHMKSA-N. The full InChI is InChI=1S/C10H10OSe/c1-2-9(8-11)12-10-6-4-3-5-7-10/h2-8H,1H3/b9-2-.
What are the key properties of (Z)-2-phenylselanylbut-2-enal?
(Z)-2-phenylselanylbut-2-enal has a molecular weight of 225.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenylselanylbut-2-enal is sourced from PubChem (CID 12518100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).