3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one

C7H10INO2 — CID 142625411

IUPAC3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1COC(=O)N1CI
InChIInChI=1S/C7H10INO2/c1-2-3-6-4-11-7(10)9(6)5-8/h2,6H,1,3-5H2
InChIKeyLFANATWKGFMJFO-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.78
Rot. Bonds3

About 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one

3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 142625411) has the molecular formula C7H10INO2 and a molecular weight of 267.07 g/mol. Its IUPAC name is 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID142625411
Molecular FormulaC7H10INO2
Molecular Weight267.07 g/mol
Exact Mass266.98
IUPAC Name3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1COC(=O)N1CI
InChIInChI=1S/C7H10INO2/c1-2-3-6-4-11-7(10)9(6)5-8/h2,6H,1,3-5H2
InChIKeyLFANATWKGFMJFO-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.78
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 142625411) is 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CCC1COC(=O)N1CI.
What is the InChIKey of 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is LFANATWKGFMJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO2/c1-2-3-6-4-11-7(10)9(6)5-8/h2,6H,1,3-5H2.
What are the key properties of 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 267.07 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 142625411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).