[(E)-(5-phenylfuran-2-yl)methylideneamino]urea

C12H11N3O2 — CID 6862724

IUPAC[(E)-(5-phenylfuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O2/c13-12(16)15-14-8-10-6-7-11(17-10)9-4-2-1-3-5-9/h1-8H,(H3,13,15,16)/b14-8+
InChIKeyOEXTZFFHFSVLLY-RIYZIHGNSA-N
MW229.24 g/mol
LogP1.95
Rot. Bonds3

About [(E)-(5-phenylfuran-2-yl)methylideneamino]urea

[(E)-(5-phenylfuran-2-yl)methylideneamino]urea (PubChem CID 6862724) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is [(E)-(5-phenylfuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(5-phenylfuran-2-yl)methylideneamino]urea
PubChem CID6862724
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name[(E)-(5-phenylfuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O2/c13-12(16)15-14-8-10-6-7-11(17-10)9-4-2-1-3-5-9/h1-8H,(H3,13,15,16)/b14-8+
InChIKeyOEXTZFFHFSVLLY-RIYZIHGNSA-N
XLogP1.95
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of [(E)-(5-phenylfuran-2-yl)methylideneamino]urea?
The IUPAC name of [(E)-(5-phenylfuran-2-yl)methylideneamino]urea (CID 6862724) is [(E)-(5-phenylfuran-2-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(5-phenylfuran-2-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(5-phenylfuran-2-yl)methylideneamino]urea is NC(=O)N/N=C/c1ccc(-c2ccccc2)o1.
What is the InChIKey of [(E)-(5-phenylfuran-2-yl)methylideneamino]urea?
The InChIKey is OEXTZFFHFSVLLY-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12(16)15-14-8-10-6-7-11(17-10)9-4-2-1-3-5-9/h1-8H,(H3,13,15,16)/b14-8+.
What are the key properties of [(E)-(5-phenylfuran-2-yl)methylideneamino]urea?
[(E)-(5-phenylfuran-2-yl)methylideneamino]urea has a molecular weight of 229.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-phenylfuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 6862724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).