2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine

C10H13N5O5 — CID 172963929

IUPAC2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/N=C(N)NO)c1OC
InChIInChI=1S/C10H13N5O5/c1-19-8-4-7(15(17)18)3-6(9(8)20-2)5-12-13-10(11)14-16/h3-5,16H,1-2H3,(H3,11,13,14)/b12-5+
InChIKeyHOCPRRJAYNMTRL-LFYBBSHMSA-N
MW283.24 g/mol
LogP0.24
Rot. Bonds5

About 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 172963929) has the molecular formula C10H13N5O5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID172963929
Molecular FormulaC10H13N5O5
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/N=C(N)NO)c1OC
InChIInChI=1S/C10H13N5O5/c1-19-8-4-7(15(17)18)3-6(9(8)20-2)5-12-13-10(11)14-16/h3-5,16H,1-2H3,(H3,11,13,14)/b12-5+
InChIKeyHOCPRRJAYNMTRL-LFYBBSHMSA-N
XLogP0.24
TPSA144.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-cyano-N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide
CID 135439717
2-(4,5-Dimethoxy-2-nitrophenyl)ethanamine
CID 3457793
2-[2-(4,5-Dimethoxy-2-nitrophenyl)ethyliminomethyl]phenol
CID 334209
2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]guanidine
CID 9718030
2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 11471598
2-[(E)-(2,3-dimethoxy-5,6-dinitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 11472909
2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 11482959
1-(4,5-Dimethoxy-2-nitrophenyl)diazoethane
CID 196727
2-Methoxy-6-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol
CID 3972787
N1-Hydroxy-N3[(3,4-dimethoxy-6-nitrobenzylidene)amino]guanidine
CID 9574161
Phenol, 2-[(dimethylamino)methyl]-6-methoxy-4-nitro-
CID 76314
2-[(E)-[(3,4-Dimethoxyphenyl)imino]methyl]-4-nitrophenol
CID 689428

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine (CID 172963929) is 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine is COc1cc([N+](=O)[O-])cc(/C=N/N=C(N)NO)c1OC.
What is the InChIKey of 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is HOCPRRJAYNMTRL-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H13N5O5/c1-19-8-4-7(15(17)18)3-6(9(8)20-2)5-12-13-10(11)14-16/h3-5,16H,1-2H3,(H3,11,13,14)/b12-5+.
What are the key properties of 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 283.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,3-dimethoxy-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 172963929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).