[(5-cyano-1-benzofuran-2-yl)methylideneamino]urea

C11H8N4O2 — CID 86026614

IUPAC[(5-cyano-1-benzofuran-2-yl)methylideneamino]urea
SMILESN#Cc1ccc2oc(C=NNC(N)=O)cc2c1
InChIInChI=1S/C11H8N4O2/c12-5-7-1-2-10-8(3-7)4-9(17-10)6-14-15-11(13)16/h1-4,6H,(H3,13,15,16)
InChIKeyUSIPCSJVGZLCJC-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.31
Rot. Bonds2

About [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea

[(5-cyano-1-benzofuran-2-yl)methylideneamino]urea (PubChem CID 86026614) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(5-cyano-1-benzofuran-2-yl)methylideneamino]urea
PubChem CID86026614
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name[(5-cyano-1-benzofuran-2-yl)methylideneamino]urea
SMILESN#Cc1ccc2oc(C=NNC(N)=O)cc2c1
InChIInChI=1S/C11H8N4O2/c12-5-7-1-2-10-8(3-7)4-9(17-10)6-14-15-11(13)16/h1-4,6H,(H3,13,15,16)
InChIKeyUSIPCSJVGZLCJC-UHFFFAOYSA-N
XLogP1.31
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea?
The IUPAC name of [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea (CID 86026614) is [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea.
What is the SMILES notation for [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea?
The canonical SMILES for [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea is N#Cc1ccc2oc(C=NNC(N)=O)cc2c1.
What is the InChIKey of [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea?
The InChIKey is USIPCSJVGZLCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-5-7-1-2-10-8(3-7)4-9(17-10)6-14-15-11(13)16/h1-4,6H,(H3,13,15,16).
What are the key properties of [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea?
[(5-cyano-1-benzofuran-2-yl)methylideneamino]urea has a molecular weight of 228.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-cyano-1-benzofuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 86026614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).