[(E)-cyanomethylideneamino]urea

C3H4N4O — CID 14898848

IUPAC[(E)-cyanomethylideneamino]urea
SMILESN#C/C=N/NC(N)=O
InChIInChI=1S/C3H4N4O/c4-1-2-6-7-3(5)8/h2H,(H3,5,7,8)/b6-2+
InChIKeyNNIOMBQNGSNTFH-QHHAFSJGSA-N
MW112.09 g/mol
LogP-0.84
Rot. Bonds1

About [(E)-cyanomethylideneamino]urea

[(E)-cyanomethylideneamino]urea (PubChem CID 14898848) has the molecular formula C3H4N4O and a molecular weight of 112.09 g/mol. Its IUPAC name is [(E)-cyanomethylideneamino]urea.

Molecular Properties

Compound Name[(E)-cyanomethylideneamino]urea
PubChem CID14898848
Molecular FormulaC3H4N4O
Molecular Weight112.09 g/mol
Exact Mass112.04
IUPAC Name[(E)-cyanomethylideneamino]urea
SMILESN#C/C=N/NC(N)=O
InChIInChI=1S/C3H4N4O/c4-1-2-6-7-3(5)8/h2H,(H3,5,7,8)/b6-2+
InChIKeyNNIOMBQNGSNTFH-QHHAFSJGSA-N
XLogP-0.84
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.84
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

[(Z)-ethylideneamino]urea
CID 5365245
(2E)-2-Ethylidenhydrazincarboxamid
CID 5381348
(Ethylideneamino)urea
CID 271884
1h-1,2,4,5-Tetrazepin-3-one
CID 129705955
(2-Cyanoethylideneamino)urea
CID 53744572
[(E)-2-cyanoethylideneamino]urea
CID 55290553
(Cyanomethylideneamino)urea
CID 72740866

Frequently Asked Questions

What is the IUPAC name of [(E)-cyanomethylideneamino]urea?
The IUPAC name of [(E)-cyanomethylideneamino]urea (CID 14898848) is [(E)-cyanomethylideneamino]urea.
What is the SMILES notation for [(E)-cyanomethylideneamino]urea?
The canonical SMILES for [(E)-cyanomethylideneamino]urea is N#C/C=N/NC(N)=O.
What is the InChIKey of [(E)-cyanomethylideneamino]urea?
The InChIKey is NNIOMBQNGSNTFH-QHHAFSJGSA-N. The full InChI is InChI=1S/C3H4N4O/c4-1-2-6-7-3(5)8/h2H,(H3,5,7,8)/b6-2+.
What are the key properties of [(E)-cyanomethylideneamino]urea?
[(E)-cyanomethylideneamino]urea has a molecular weight of 112.09 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-cyanomethylideneamino]urea is sourced from PubChem (CID 14898848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).