phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate

C11H9ClN2O4 — CID 12771227

IUPACphenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate
SMILESO=C(Cl)N1CCN(C(=O)Oc2ccccc2)C1=O
InChIInChI=1S/C11H9ClN2O4/c12-9(15)13-6-7-14(10(13)16)11(17)18-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyAKBJFIAGWJLATM-UHFFFAOYSA-N
MW268.66 g/mol
LogP2.28
Rot. Bonds1

About phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate

phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate (PubChem CID 12771227) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate
PubChem CID12771227
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Namephenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate
SMILESO=C(Cl)N1CCN(C(=O)Oc2ccccc2)C1=O
InChIInChI=1S/C11H9ClN2O4/c12-9(15)13-6-7-14(10(13)16)11(17)18-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyAKBJFIAGWJLATM-UHFFFAOYSA-N
XLogP2.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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phenyl 2-sulfanylideneimidazolidine-1-carboxylate
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phenyl 4-sulfamoylpiperazine-1-carboxylate
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(4-phenoxyphenyl) pyrrolidine-1-carboxylate
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phenyl 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate (CID 12771227) is phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate is O=C(Cl)N1CCN(C(=O)Oc2ccccc2)C1=O.
What is the InChIKey of phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate?
The InChIKey is AKBJFIAGWJLATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c12-9(15)13-6-7-14(10(13)16)11(17)18-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate?
phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate has a molecular weight of 268.66 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 12771227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).