2-iodopent-4-enoate

C5H6IO2- — CID 18921929

IUPAC2-iodopent-4-enoate
SMILESC=CCC(I)C(=O)[O-]
InChIInChI=1S/C5H7IO2/c1-2-3-4(6)5(7)8/h2,4H,1,3H2,(H,7,8)/p-1
InChIKeyLEBBEVJLJVFNCE-UHFFFAOYSA-M
MW225.00 g/mol
LogP0.12
Rot. Bonds3

About 2-iodopent-4-enoate

2-iodopent-4-enoate (PubChem CID 18921929) has the molecular formula C5H6IO2- and a molecular weight of 225.00 g/mol. Its IUPAC name is 2-iodopent-4-enoate.

Molecular Properties

Compound Name2-iodopent-4-enoate
PubChem CID18921929
Molecular FormulaC5H6IO2-
Molecular Weight225.00 g/mol
Exact Mass224.94
IUPAC Name2-iodopent-4-enoate
SMILESC=CCC(I)C(=O)[O-]
InChIInChI=1S/C5H7IO2/c1-2-3-4(6)5(7)8/h2,4H,1,3H2,(H,7,8)/p-1
InChIKeyLEBBEVJLJVFNCE-UHFFFAOYSA-M
XLogP0.12
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.00
LogP ≤ 50.12
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypent-4-enoate
CID 23063769
2,3-diiodopropanoate
CID 155784790
2-prop-2-enylbutanedioate
CID 18008387
tetrakis(2-acetylpent-4-enoate);titanium(4+)
CID 173063293
cadmium(2+);bis(2,3-diiodopropanoate)
CID 22604603
2-acetylpent-4-enoate;methanolate;titanium(4+)
CID 173160592
dipotassium;3-bromoprop-1-ene;carbonate
CID 86748963
2-chloropent-4-enoic acid
CID 20540306
tetrakis(prop-2-enyl)phosphanium acetate
CID 87134475
2-(2-sulfanylideneethyl)pent-4-enoate;trimethylstannanylium
CID 88796133
3-(iodomethyl)hex-5-enoyl chloride
CID 87126318
(4S)-4-iodopent-1-ene
CID 88562936

Frequently Asked Questions

What is the IUPAC name of 2-iodopent-4-enoate?
The IUPAC name of 2-iodopent-4-enoate (CID 18921929) is 2-iodopent-4-enoate.
What is the SMILES notation for 2-iodopent-4-enoate?
The canonical SMILES for 2-iodopent-4-enoate is C=CCC(I)C(=O)[O-].
What is the InChIKey of 2-iodopent-4-enoate?
The InChIKey is LEBBEVJLJVFNCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7IO2/c1-2-3-4(6)5(7)8/h2,4H,1,3H2,(H,7,8)/p-1.
What are the key properties of 2-iodopent-4-enoate?
2-iodopent-4-enoate has a molecular weight of 225.00 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopent-4-enoate is sourced from PubChem (CID 18921929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).