[(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea

C13H15N3O3 — CID 5405573

IUPAC[(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)[C@H]1C[C@H](c2ccccc2)C(=O)O1
InChIInChI=1S/C13H15N3O3/c1-8(15-16-13(14)18)11-7-10(12(17)19-11)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H3,14,16,18)/b15-8-/t10-,11-/m1/s1
InChIKeyMSIUWGXISBNJFT-UFCGYKGRSA-N
MW261.28 g/mol
LogP1.13
Rot. Bonds3

About [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea

[(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea (PubChem CID 5405573) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea
PubChem CID5405573
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)[C@H]1C[C@H](c2ccccc2)C(=O)O1
InChIInChI=1S/C13H15N3O3/c1-8(15-16-13(14)18)11-7-10(12(17)19-11)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H3,14,16,18)/b15-8-/t10-,11-/m1/s1
InChIKeyMSIUWGXISBNJFT-UFCGYKGRSA-N
XLogP1.13
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea with MolForge

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Related Compounds

(2E)-2-[1-(4-benzyl-5-oxotetrahydrofuran-2-yl)ethylidene]hydrazinecarboxamide
CID 9593707
(2E)-2-[1-(5-oxo-4-phenyltetrahydrofuran-2-yl)ethylidene]hydrazinecarboxamide
CID 9593706
Ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
Methyl 2-((aminocarbonyl)hydrazono)-3-cyano-3-phenylpropanoate
CID 6375702
Ethyl 2-acetylhydrazono-2-phenylacetate
CID 12323776
ethyl 2-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-3-(2-fluorophenyl)-4-oxopentanoate
CID 10088423
methyl 2-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-3-(2-fluorophenyl)-4-oxopentanoate
CID 10448854
[1-(4-Benzyl-5-oxooxolan-2-yl)ethylideneamino]urea
CID 3125301
ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate
CID 5385529
3-[(Aminocarbonyl)hydrazono]-1-phenylcyclopentanecarboxylic acid
CID 5903915
(1R)-3-(carbamoylhydrazinylidene)-1-phenylcyclopentane-1-carboxylic acid
CID 867995
Ethyl 3-(2-carbamoylhydrazineylidene)-3-phenylpropanoate
CID 4090072

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea?
The IUPAC name of [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea (CID 5405573) is [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea?
The canonical SMILES for [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea is C/C(=N/NC(N)=O)[C@H]1C[C@H](c2ccccc2)C(=O)O1.
What is the InChIKey of [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea?
The InChIKey is MSIUWGXISBNJFT-UFCGYKGRSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(15-16-13(14)18)11-7-10(12(17)19-11)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H3,14,16,18)/b15-8-/t10-,11-/m1/s1.
What are the key properties of [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea?
[(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea has a molecular weight of 261.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea is sourced from PubChem (CID 5405573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).