5-iodo-3-methylideneoxolan-2-one

C5H5IO2 — CID 144704076

IUPAC5-iodo-3-methylideneoxolan-2-one
SMILESC=C1CC(I)OC1=O
InChIInChI=1S/C5H5IO2/c1-3-2-4(6)8-5(3)7/h4H,1-2H2
InChIKeyIEIYEZAYCZZQNE-UHFFFAOYSA-N
MW224.00 g/mol
LogP1.25
Rot. Bonds

About 5-iodo-3-methylideneoxolan-2-one

5-iodo-3-methylideneoxolan-2-one (PubChem CID 144704076) has the molecular formula C5H5IO2 and a molecular weight of 224.00 g/mol. Its IUPAC name is 5-iodo-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name5-iodo-3-methylideneoxolan-2-one
PubChem CID144704076
Molecular FormulaC5H5IO2
Molecular Weight224.00 g/mol
Exact Mass223.93
IUPAC Name5-iodo-3-methylideneoxolan-2-one
SMILESC=C1CC(I)OC1=O
InChIInChI=1S/C5H5IO2/c1-3-2-4(6)8-5(3)7/h4H,1-2H2
InChIKeyIEIYEZAYCZZQNE-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alpha-Methylene butyrolactone
CID 68352
Itaconic Anhydride
CID 75110
2(3H)-Furanone, dihydro-4-methyl-3-methylene-, (R)-
CID 11815838
(4S)-4-methyl-3-methylideneoxolan-2-one
CID 13291800
(3E)-3-(ethoxymethylidene)oxolan-2-one
CID 13587404
4-methyl-3-methylenedihydrofuran-2(3H)-one
CID 10844358
5-(Iodomethyl)-3-methylideneoxolan-2-one
CID 12739578
(3E)-3-(methoxymethylidene)oxolan-2-one
CID 5357962
2(3H)-Furanone, dihydro-4-methylene-
CID 12303360
3-Vinylidene-tetrahydro-furan-2-one
CID 14764250
Ethyl 4-iodo-2-methylidenebutanoate
CID 14468514
(3Z)-3-(hydroxymethylidene)oxolan-2-one
CID 10855510

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methylideneoxolan-2-one?
The IUPAC name of 5-iodo-3-methylideneoxolan-2-one (CID 144704076) is 5-iodo-3-methylideneoxolan-2-one.
What is the SMILES notation for 5-iodo-3-methylideneoxolan-2-one?
The canonical SMILES for 5-iodo-3-methylideneoxolan-2-one is C=C1CC(I)OC1=O.
What is the InChIKey of 5-iodo-3-methylideneoxolan-2-one?
The InChIKey is IEIYEZAYCZZQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IO2/c1-3-2-4(6)8-5(3)7/h4H,1-2H2.
What are the key properties of 5-iodo-3-methylideneoxolan-2-one?
5-iodo-3-methylideneoxolan-2-one has a molecular weight of 224.00 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methylideneoxolan-2-one is sourced from PubChem (CID 144704076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).