selenophen-2-yl prop-2-enoate

C7H6O2Se — CID 154460568

IUPACselenophen-2-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccc[se]1
InChIInChI=1S/C7H6O2Se/c1-2-6(8)9-7-4-3-5-10-7/h2-5H,1H2
InChIKeyFQUBRLAGWVMDEA-UHFFFAOYSA-N
MW201.08 g/mol
LogP0.83
Rot. Bonds2

About selenophen-2-yl prop-2-enoate

selenophen-2-yl prop-2-enoate (PubChem CID 154460568) has the molecular formula C7H6O2Se and a molecular weight of 201.08 g/mol. Its IUPAC name is selenophen-2-yl prop-2-enoate.

Molecular Properties

Compound Nameselenophen-2-yl prop-2-enoate
PubChem CID154460568
Molecular FormulaC7H6O2Se
Molecular Weight201.08 g/mol
Exact Mass201.95
IUPAC Nameselenophen-2-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccc[se]1
InChIInChI=1S/C7H6O2Se/c1-2-6(8)9-7-4-3-5-10-7/h2-5H,1H2
InChIKeyFQUBRLAGWVMDEA-UHFFFAOYSA-N
XLogP0.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.08
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
phenyl prop-2-enoate;triphenylene
CID 159225619
naphthalen-1-yl prop-2-enoate
CID 10192638
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
(2,6-dibromophenyl) prop-2-enoate
CID 91415970
(2-methoxyphenyl) prop-2-enoate
CID 22987486
oxirane;phenyl prop-2-enoate
CID 87443709
(3-fluorophenyl) prop-2-enoate
CID 21098293
(3-chlorophenyl) prop-2-enoate
CID 10241458
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723

Frequently Asked Questions

What is the IUPAC name of selenophen-2-yl prop-2-enoate?
The IUPAC name of selenophen-2-yl prop-2-enoate (CID 154460568) is selenophen-2-yl prop-2-enoate.
What is the SMILES notation for selenophen-2-yl prop-2-enoate?
The canonical SMILES for selenophen-2-yl prop-2-enoate is C=CC(=O)Oc1ccc[se]1.
What is the InChIKey of selenophen-2-yl prop-2-enoate?
The InChIKey is FQUBRLAGWVMDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2Se/c1-2-6(8)9-7-4-3-5-10-7/h2-5H,1H2.
What are the key properties of selenophen-2-yl prop-2-enoate?
selenophen-2-yl prop-2-enoate has a molecular weight of 201.08 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for selenophen-2-yl prop-2-enoate is sourced from PubChem (CID 154460568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).