1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine

C9H11N5O4 — CID 139982862

IUPAC1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
SMILESCOc1ccc([N+](=O)[O-])cc1/C=N/N=C(\N)NO
InChIInChI=1S/C9H11N5O4/c1-18-8-3-2-7(14(16)17)4-6(8)5-11-12-9(10)13-15/h2-5,15H,1H3,(H3,10,12,13)/b11-5+
InChIKeyOPVQFHCKGJFYBT-VZUCSPMQSA-N
MW253.22 g/mol
LogP0.23
Rot. Bonds4

About 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine

1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine (PubChem CID 139982862) has the molecular formula C9H11N5O4 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
PubChem CID139982862
Molecular FormulaC9H11N5O4
Molecular Weight253.22 g/mol
Exact Mass253.08
IUPAC Name1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
SMILESCOc1ccc([N+](=O)[O-])cc1/C=N/N=C(\N)NO
InChIInChI=1S/C9H11N5O4/c1-18-8-3-2-7(14(16)17)4-6(8)5-11-12-9(10)13-15/h2-5,15H,1H3,(H3,10,12,13)/b11-5+
InChIKeyOPVQFHCKGJFYBT-VZUCSPMQSA-N
XLogP0.23
TPSA135.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 70180753
1,2-bis[(E)-(2-methoxy-4-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 21446273
[(2-methoxy-5-nitrophenyl)methylideneamino]thiourea
CID 57359197
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
2-[(E)-(2-bromo-4-nitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 139982839
2-[(E)-[2-(2,5-dimethoxyphenyl)sulfanyl-5-nitrophenyl]methylideneamino]guanidine
CID 44572794
2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
2-[(E)-(2-chloro-3,4-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10300026
1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
CID 135822056
N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine
CID 6872148
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-4-methylbenzenecarbothioamide
CID 94845840

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine (CID 139982862) is 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine is COc1ccc([N+](=O)[O-])cc1/C=N/N=C(\N)NO.
What is the InChIKey of 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine?
The InChIKey is OPVQFHCKGJFYBT-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H11N5O4/c1-18-8-3-2-7(14(16)17)4-6(8)5-11-12-9(10)13-15/h2-5,15H,1H3,(H3,10,12,13)/b11-5+.
What are the key properties of 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine?
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine has a molecular weight of 253.22 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 139982862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).