[(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea

C10H17N3O3 — CID 6341386

IUPAC[(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea
SMILESC/C(C[C@@H]1CC(C)(C)OC1=O)=N/NC(N)=O
InChIInChI=1S/C10H17N3O3/c1-6(12-13-9(11)15)4-7-5-10(2,3)16-8(7)14/h7H,4-5H2,1-3H3,(H3,11,13,15)/b12-6-/t7-/m1/s1
InChIKeyUBABVEFNJSJLQX-WCLCAVJRSA-N
MW227.26 g/mol
LogP0.76
Rot. Bonds3

About [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea

[(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea (PubChem CID 6341386) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea
PubChem CID6341386
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name[(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea
SMILESC/C(C[C@@H]1CC(C)(C)OC1=O)=N/NC(N)=O
InChIInChI=1S/C10H17N3O3/c1-6(12-13-9(11)15)4-7-5-10(2,3)16-8(7)14/h7H,4-5H2,1-3H3,(H3,11,13,15)/b12-6-/t7-/m1/s1
InChIKeyUBABVEFNJSJLQX-WCLCAVJRSA-N
XLogP0.76
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.76
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-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea with MolForge

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Related Compounds

2-(5,5-dimethyl-2-oxooxolan-3-yl)acetic acid
CID 3142067
[(E)-4-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]butan-2-ylideneamino]urea
CID 177427437
(3R)-5,5-dimethyl-3-[(2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl]oxolan-2-one
CID 5423172
2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide
CID 754439
N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide
CID 39730442
[(Z)-1-[(2S,4R)-4-ethyl-5-oxooxolan-2-yl]ethylideneamino]urea
CID 6542954
[(E)-1-[(2R,4S)-4-butyl-2-methyl-5-oxooxolan-2-yl]ethylideneamino]thiourea
CID 7302139
[(Z)-1-[(2S,4R)-4-butyl-5-oxooxolan-2-yl]ethylideneamino]urea
CID 7303677
[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea
CID 5405593
[(Z)-1-[(2S,4S)-5-oxo-4-pentyloxolan-2-yl]ethylideneamino]urea
CID 7336108
[1-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]prop-1-en-2-ylamino]thiourea
CID 7006181
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 889562

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea?
The IUPAC name of [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea (CID 6341386) is [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea.
What is the SMILES notation for [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea?
The canonical SMILES for [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea is C/C(C[C@@H]1CC(C)(C)OC1=O)=N/NC(N)=O.
What is the InChIKey of [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea?
The InChIKey is UBABVEFNJSJLQX-WCLCAVJRSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(12-13-9(11)15)4-7-5-10(2,3)16-8(7)14/h7H,4-5H2,1-3H3,(H3,11,13,15)/b12-6-/t7-/m1/s1.
What are the key properties of [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea?
[(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea has a molecular weight of 227.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea is sourced from PubChem (CID 6341386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).