(2-oxoimidazolidin-1-yl) carbonochloridate

C4H5ClN2O3 — CID 88752032

IUPAC(2-oxoimidazolidin-1-yl) carbonochloridate
SMILESO=C(Cl)ON1CCNC1=O
InChIInChI=1S/C4H5ClN2O3/c5-3(8)10-7-2-1-6-4(7)9/h1-2H2,(H,6,9)
InChIKeySRDRZXOZDOZPHI-UHFFFAOYSA-N
MW164.55 g/mol
LogP0.30
Rot. Bonds1

About (2-oxoimidazolidin-1-yl) carbonochloridate

(2-oxoimidazolidin-1-yl) carbonochloridate (PubChem CID 88752032) has the molecular formula C4H5ClN2O3 and a molecular weight of 164.55 g/mol. Its IUPAC name is (2-oxoimidazolidin-1-yl) carbonochloridate.

Molecular Properties

Compound Name(2-oxoimidazolidin-1-yl) carbonochloridate
PubChem CID88752032
Molecular FormulaC4H5ClN2O3
Molecular Weight164.55 g/mol
Exact Mass164.00
IUPAC Name(2-oxoimidazolidin-1-yl) carbonochloridate
SMILESO=C(Cl)ON1CCNC1=O
InChIInChI=1S/C4H5ClN2O3/c5-3(8)10-7-2-1-6-4(7)9/h1-2H2,(H,6,9)
InChIKeySRDRZXOZDOZPHI-UHFFFAOYSA-N
XLogP0.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.55
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate
CID 175211358
1-methoxyimidazolidin-2-one
CID 18186072
methyl 2-oxoimidazolidine-1-carboxylate
CID 11788357
2-oxo-1,3-diazepane-1-carbonyl chloride
CID 21444840
1-methylimidazolidin-2-one;propan-2-one
CID 175161965
tert-butyl N-[2-(2-oxoimidazolidin-1-yl)oxyethyl]carbamate
CID 178023400
(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
CID 67409048
methyl 2-(2-oxoimidazolidin-1-yl)propanoate
CID 115370601
1-butanoylimidazolidin-2-one
CID 12771230
1-methyl-1-(2-oxoimidazolidin-1-yl)urea
CID 90970749
1-(2-chlorobutanoyl)imidazolidin-2-one
CID 16786747
2-(2-oxoimidazolidin-1-yl)cyclopentane-1-carboxylic acid
CID 64815504

Frequently Asked Questions

What is the IUPAC name of (2-oxoimidazolidin-1-yl) carbonochloridate?
The IUPAC name of (2-oxoimidazolidin-1-yl) carbonochloridate (CID 88752032) is (2-oxoimidazolidin-1-yl) carbonochloridate.
What is the SMILES notation for (2-oxoimidazolidin-1-yl) carbonochloridate?
The canonical SMILES for (2-oxoimidazolidin-1-yl) carbonochloridate is O=C(Cl)ON1CCNC1=O.
What is the InChIKey of (2-oxoimidazolidin-1-yl) carbonochloridate?
The InChIKey is SRDRZXOZDOZPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O3/c5-3(8)10-7-2-1-6-4(7)9/h1-2H2,(H,6,9).
What are the key properties of (2-oxoimidazolidin-1-yl) carbonochloridate?
(2-oxoimidazolidin-1-yl) carbonochloridate has a molecular weight of 164.55 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoimidazolidin-1-yl) carbonochloridate is sourced from PubChem (CID 88752032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).