[(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea

C9H15N3O3 — CID 6542954

IUPAC[(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea
SMILESCC[C@@H]1C[C@@H](/C(C)=N\NC(N)=O)OC1=O
InChIInChI=1S/C9H15N3O3/c1-3-6-4-7(15-8(6)13)5(2)11-12-9(10)14/h6-7H,3-4H2,1-2H3,(H3,10,12,14)/b11-5-/t6-,7+/m1/s1
InChIKeyRVHBGMNJFGVKRD-KVSNWHAZSA-N
MW213.24 g/mol
LogP0.37
Rot. Bonds3

About [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea

[(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea (PubChem CID 6542954) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea
PubChem CID6542954
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name[(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea
SMILESCC[C@@H]1C[C@@H](/C(C)=N\NC(N)=O)OC1=O
InChIInChI=1S/C9H15N3O3/c1-3-6-4-7(15-8(6)13)5(2)11-12-9(10)14/h6-7H,3-4H2,1-2H3,(H3,10,12,14)/b11-5-/t6-,7+/m1/s1
InChIKeyRVHBGMNJFGVKRD-KVSNWHAZSA-N
XLogP0.37
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.37
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'}

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Related Compounds

[(Z)-1-[(2S,4R)-4-butyl-5-oxooxolan-2-yl]ethylideneamino]urea
CID 7303677
[(Z)-1-[(2S,4S)-5-oxo-4-pentyloxolan-2-yl]ethylideneamino]urea
CID 7336108
[(Z)-1-(4-hexyl-5-oxooxolan-2-yl)ethylideneamino]urea
CID 6140667
[(Z)-1-[(2R,4R)-5-oxo-4-phenyloxolan-2-yl]ethylideneamino]urea
CID 5405573
[(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea
CID 6341386
[1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea
CID 542078
3-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 23424248
5-oxo-4-propyloxolane-2-carboxylic acid
CID 67541536
[(Z)-1-[(2S)-2-bicyclo[2.2.2]octanyl]ethylideneamino]urea
CID 92526529
(1-aminoethylideneamino)urea
CID 85436939
5-(1,2-dihydroxyethyl)-3-ethyloxolan-2-one
CID 68573722
[(E)-4-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]butan-2-ylideneamino]urea
CID 177427437

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea?
The IUPAC name of [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea (CID 6542954) is [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea?
The canonical SMILES for [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea is CC[C@@H]1C[C@@H](/C(C)=N\NC(N)=O)OC1=O.
What is the InChIKey of [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea?
The InChIKey is RVHBGMNJFGVKRD-KVSNWHAZSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-6-4-7(15-8(6)13)5(2)11-12-9(10)14/h6-7H,3-4H2,1-2H3,(H3,10,12,14)/b11-5-/t6-,7+/m1/s1.
What are the key properties of [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea?
[(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea has a molecular weight of 213.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea is sourced from PubChem (CID 6542954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).