2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride

C8H11ClN2O3 — CID 90446500

IUPAC2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCN([C@@H]2CCOC2)C1=O
InChIInChI=1S/C8H11ClN2O3/c9-7(12)11-3-2-10(8(11)13)6-1-4-14-5-6/h6H,1-5H2/t6-/m1/s1
InChIKeyPUBPFYDKZOPRNR-ZCFIWIBFSA-N
MW218.64 g/mol
LogP0.87
Rot. Bonds1

About 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride

2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride (PubChem CID 90446500) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride.

Molecular Properties

Compound Name2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride
PubChem CID90446500
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCN([C@@H]2CCOC2)C1=O
InChIInChI=1S/C8H11ClN2O3/c9-7(12)11-3-2-10(8(11)13)6-1-4-14-5-6/h6H,1-5H2/t6-/m1/s1
InChIKeyPUBPFYDKZOPRNR-ZCFIWIBFSA-N
XLogP0.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride?
The IUPAC name of 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride (CID 90446500) is 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride.
What is the SMILES notation for 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride?
The canonical SMILES for 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride is O=C(Cl)N1CCN([C@@H]2CCOC2)C1=O.
What is the InChIKey of 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride?
The InChIKey is PUBPFYDKZOPRNR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11ClN2O3/c9-7(12)11-3-2-10(8(11)13)6-1-4-14-5-6/h6H,1-5H2/t6-/m1/s1.
What are the key properties of 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride?
2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride has a molecular weight of 218.64 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride is sourced from PubChem (CID 90446500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).