2-methaneselenoylprop-2-enoate

C4H3O2Se- — CID 24758216

IUPAC2-methaneselenoylprop-2-enoate
SMILESC=C(C=[Se])C(=O)[O-]
InChIInChI=1S/C4H4O2Se/c1-3(2-7)4(5)6/h2H,1H2,(H,5,6)/p-1
InChIKeyDSUGLJAAQNXRBG-UHFFFAOYSA-M
MW162.03 g/mol
LogP-1.74
Rot. Bonds2

About 2-methaneselenoylprop-2-enoate

2-methaneselenoylprop-2-enoate (PubChem CID 24758216) has the molecular formula C4H3O2Se- and a molecular weight of 162.03 g/mol. Its IUPAC name is 2-methaneselenoylprop-2-enoate.

Molecular Properties

Compound Name2-methaneselenoylprop-2-enoate
PubChem CID24758216
Molecular FormulaC4H3O2Se-
Molecular Weight162.03 g/mol
Exact Mass162.93
IUPAC Name2-methaneselenoylprop-2-enoate
SMILESC=C(C=[Se])C(=O)[O-]
InChIInChI=1S/C4H4O2Se/c1-3(2-7)4(5)6/h2H,1H2,(H,5,6)/p-1
InChIKeyDSUGLJAAQNXRBG-UHFFFAOYSA-M
XLogP-1.74
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 5-1.74
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

(E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate
CID 54750829
2-methylprop-2-enoate
CID 19005746
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
bis(2-methylprop-2-enoate);samarium
CID 175299700
bis(2-chloroprop-2-enoate);iron(2+)
CID 19736162
cadmium(2+);bis(2-chloroprop-2-enoate)
CID 22604256
CID 159432817
CID 159432817
sodium;ethene;2-methylprop-2-enoate
CID 23688925
calcium;2-methylprop-2-enoate;chloride
CID 174912380
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
potassium;hafnium(4+);carbonate
CID 19377245

Frequently Asked Questions

What is the IUPAC name of 2-methaneselenoylprop-2-enoate?
The IUPAC name of 2-methaneselenoylprop-2-enoate (CID 24758216) is 2-methaneselenoylprop-2-enoate.
What is the SMILES notation for 2-methaneselenoylprop-2-enoate?
The canonical SMILES for 2-methaneselenoylprop-2-enoate is C=C(C=[Se])C(=O)[O-].
What is the InChIKey of 2-methaneselenoylprop-2-enoate?
The InChIKey is DSUGLJAAQNXRBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4O2Se/c1-3(2-7)4(5)6/h2H,1H2,(H,5,6)/p-1.
What are the key properties of 2-methaneselenoylprop-2-enoate?
2-methaneselenoylprop-2-enoate has a molecular weight of 162.03 g/mol, XLogP of -1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methaneselenoylprop-2-enoate is sourced from PubChem (CID 24758216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).