2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine

C8H9ClN4O — CID 173023950

IUPAC2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=N/N=C/c1ccc(Cl)cc1)NO
InChIInChI=1S/C8H9ClN4O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13-14/h1-5,14H,(H3,10,12,13)/b11-5+
InChIKeyZWVAPQNEIBUJSS-VZUCSPMQSA-N
MW212.64 g/mol
LogP0.97
Rot. Bonds2

About 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 173023950) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID173023950
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=N/N=C/c1ccc(Cl)cc1)NO
InChIInChI=1S/C8H9ClN4O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13-14/h1-5,14H,(H3,10,12,13)/b11-5+
InChIKeyZWVAPQNEIBUJSS-VZUCSPMQSA-N
XLogP0.97
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
CID 72952246
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173024102
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768
CID 172941482
CID 172941482
1-hydroxy-2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 171927858
1-[(4-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methylideneamino]guanidine
CID 123386434
2-[(E)-(4-bromo-3-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023981
2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
CID 13451350
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 10060509
2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10158636

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine (CID 173023950) is 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine is NC(=N/N=C/c1ccc(Cl)cc1)NO.
What is the InChIKey of 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is ZWVAPQNEIBUJSS-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H9ClN4O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13-14/h1-5,14H,(H3,10,12,13)/b11-5+.
What are the key properties of 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 212.64 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 173023950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).