(Z)-3-phenylselanylbut-2-enal

C10H10OSe — CID 139265511

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

About (Z)-3-phenylselanylbut-2-enal

(Z)-3-phenylselanylbut-2-enal (PubChem CID 139265511) has the molecular formula C10H10OSe and a molecular weight of 225.15 g/mol. Its IUPAC name is (Z)-3-phenylselanylbut-2-enal.

Molecular Properties

Compound Name(Z)-3-phenylselanylbut-2-enal
PubChem CID139265511
Molecular FormulaC10H10OSe
Molecular Weight225.15 g/mol
Exact Mass225.99
IUPAC Name(Z)-3-phenylselanylbut-2-enal
SMILESC/C(=C/C=O)[Se]c1ccccc1
InChIInChI=1S/C10H10OSe/c1-9(7-8-11)12-10-5-3-2-4-6-10/h2-8H,1H3/b9-7-
InChIKeyVRHUPZHBRHYCRK-CLFYSBASSA-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'}

Analyze (Z)-3-phenylselanylbut-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenylselanylbut-2-enal?
The IUPAC name of (Z)-3-phenylselanylbut-2-enal (CID 139265511) is (Z)-3-phenylselanylbut-2-enal.
What is the SMILES notation for (Z)-3-phenylselanylbut-2-enal?
The canonical SMILES for (Z)-3-phenylselanylbut-2-enal is C/C(=C/C=O)[Se]c1ccccc1.
What is the InChIKey of (Z)-3-phenylselanylbut-2-enal?
The InChIKey is VRHUPZHBRHYCRK-CLFYSBASSA-N. The full InChI is InChI=1S/C10H10OSe/c1-9(7-8-11)12-10-5-3-2-4-6-10/h2-8H,1H3/b9-7-.
What are the key properties of (Z)-3-phenylselanylbut-2-enal?
(Z)-3-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)-3-phenylselanylbut-2-enal is sourced from PubChem (CID 139265511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).