(3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one

C7H7IO2 — CID 15074850

IUPAC(3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one
SMILESC=CC1COC(=O)/C1=C\I
InChIInChI=1S/C7H7IO2/c1-2-5-4-10-7(9)6(5)3-8/h2-3,5H,1,4H2/b6-3-
InChIKeySAGGGWUDISYABL-UTCJRWHESA-N
MW250.03 g/mol
LogP1.66
Rot. Bonds1

About (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one

(3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one (PubChem CID 15074850) has the molecular formula C7H7IO2 and a molecular weight of 250.03 g/mol. Its IUPAC name is (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one
PubChem CID15074850
Molecular FormulaC7H7IO2
Molecular Weight250.03 g/mol
Exact Mass249.95
IUPAC Name(3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one
SMILESC=CC1COC(=O)/C1=C\I
InChIInChI=1S/C7H7IO2/c1-2-5-4-10-7(9)6(5)3-8/h2-3,5H,1,4H2/b6-3-
InChIKeySAGGGWUDISYABL-UTCJRWHESA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.03
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-3-methylideneoxolan-2-one
CID 144704076
4-Ethenyl-3-iodooxolan-2-one
CID 156078043
(4-Methylidene-5-oxooxolan-2-yl)iodanium
CID 163447525
(3Z)-3-(bromomethylidene)-4-ethenyloxolan-2-one
CID 15074849
4-(Iodomethyl)-3-methylideneoxolan-2-one
CID 177597568

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one?
The IUPAC name of (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one (CID 15074850) is (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one.
What is the SMILES notation for (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one?
The canonical SMILES for (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one is C=CC1COC(=O)/C1=C\I.
What is the InChIKey of (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one?
The InChIKey is SAGGGWUDISYABL-UTCJRWHESA-N. The full InChI is InChI=1S/C7H7IO2/c1-2-5-4-10-7(9)6(5)3-8/h2-3,5H,1,4H2/b6-3-.
What are the key properties of (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one?
(3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one has a molecular weight of 250.03 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-3-(iodomethylidene)oxolan-2-one is sourced from PubChem (CID 15074850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).