[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea

C8H10N6O3 — CID 14174868

IUPAC[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(/C=N/NC(N)=O)o1
InChIInChI=1S/C8H10N6O3/c9-7(15)13-11-3-5-1-2-6(17-5)4-12-14-8(10)16/h1-4H,(H3,9,13,15)(H3,10,14,16)/b11-3+,12-4+
InChIKeyJRZXJZPIBZCOLH-HMMKTVFPSA-N
MW238.21 g/mol
LogP-0.72
Rot. Bonds4

About [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea

[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea (PubChem CID 14174868) has the molecular formula C8H10N6O3 and a molecular weight of 238.21 g/mol. Its IUPAC name is [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
PubChem CID14174868
Molecular FormulaC8H10N6O3
Molecular Weight238.21 g/mol
Exact Mass238.08
IUPAC Name[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(/C=N/NC(N)=O)o1
InChIInChI=1S/C8H10N6O3/c9-7(15)13-11-3-5-1-2-6(17-5)4-12-14-8(10)16/h1-4H,(H3,9,13,15)(H3,10,14,16)/b11-3+,12-4+
InChIKeyJRZXJZPIBZCOLH-HMMKTVFPSA-N
XLogP-0.72
TPSA148.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea with MolForge

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Related Compounds

[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
CID 5396872
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
CID 5426367
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868
[(E)-benzylideneamino]urea
CID 6861419
[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 126206866
[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea
CID 133225233
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
[3-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]phenyl]-methyl-oxoazanium
CID 89247186

Frequently Asked Questions

What is the IUPAC name of [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea?
The IUPAC name of [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea (CID 14174868) is [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea.
What is the SMILES notation for [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea?
The canonical SMILES for [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea is NC(=O)N/N=C/c1ccc(/C=N/NC(N)=O)o1.
What is the InChIKey of [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea?
The InChIKey is JRZXJZPIBZCOLH-HMMKTVFPSA-N. The full InChI is InChI=1S/C8H10N6O3/c9-7(15)13-11-3-5-1-2-6(17-5)4-12-14-8(10)16/h1-4H,(H3,9,13,15)(H3,10,14,16)/b11-3+,12-4+.
What are the key properties of [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea?
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea has a molecular weight of 238.21 g/mol, XLogP of -0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea is sourced from PubChem (CID 14174868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).