[(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea

C17H16N4O2 — CID 98550911

IUPAC[(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea
SMILESNC(=O)N/N=C1\CC(=O)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H16N4O2/c18-17(23)20-19-14-11-15(22)21(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10,16H,11H2,(H3,18,20,23)/b19-14+/t16-/m1/s1
InChIKeyUKIAXNMTOLINJG-NISQSXRWSA-N
MW308.34 g/mol
LogP2.19
Rot. Bonds3

About [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea

[(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea (PubChem CID 98550911) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea
PubChem CID98550911
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name[(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea
SMILESNC(=O)N/N=C1\CC(=O)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H16N4O2/c18-17(23)20-19-14-11-15(22)21(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10,16H,11H2,(H3,18,20,23)/b19-14+/t16-/m1/s1
InChIKeyUKIAXNMTOLINJG-NISQSXRWSA-N
XLogP2.19
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-[1-(4-aminophenyl)ethylidene]-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 9585520
3-(2-oxo-1-pyrrolidinyl)-N'-(1-phenylethylidene)benzohydrazide
CID 9590201
4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 25006090
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (1-phenyl-propylidene)-hydrazide
CID 5331395
5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91809818
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (1-phenyl-ethylidene)-hydrazide
CID 5338193
3-Hydroxyimino-1,5-diphenylpyrrolidin-2-one
CID 6800581
5-{1-[(2-fluorophenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91809817
3-{1-[2-(4-Fluorophenyl)acetyl]piperidin-4-YL}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 91890660
N'-cyclohexylidene-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 790507
N-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]acetamide
CID 2853999
4-(4-methylphenyl)-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91809861

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea?
The IUPAC name of [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea (CID 98550911) is [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea.
What is the SMILES notation for [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea?
The canonical SMILES for [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea is NC(=O)N/N=C1\CC(=O)N(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea?
The InChIKey is UKIAXNMTOLINJG-NISQSXRWSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-17(23)20-19-14-11-15(22)21(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10,16H,11H2,(H3,18,20,23)/b19-14+/t16-/m1/s1.
What are the key properties of [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea?
[(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea has a molecular weight of 308.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea is sourced from PubChem (CID 98550911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).