2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine

C10H13N5O5 — CID 11482959

IUPAC2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1ccc([N+](=O)[O-])c(/C=N/N=C(\N)NO)c1OC
InChIInChI=1S/C10H13N5O5/c1-19-8-4-3-7(15(17)18)6(9(8)20-2)5-12-13-10(11)14-16/h3-5,16H,1-2H3,(H3,11,13,14)/b12-5+
InChIKeyLXMRTPULSXVTAL-LFYBBSHMSA-N
MW283.24 g/mol
LogP0.24
Rot. Bonds5

About 2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 11482959) has the molecular formula C10H13N5O5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID11482959
Molecular FormulaC10H13N5O5
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1ccc([N+](=O)[O-])c(/C=N/N=C(\N)NO)c1OC
InChIInChI=1S/C10H13N5O5/c1-19-8-4-3-7(15(17)18)6(9(8)20-2)5-12-13-10(11)14-16/h3-5,16H,1-2H3,(H3,11,13,14)/b12-5+
InChIKeyLXMRTPULSXVTAL-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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine (CID 11482959) is 2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine is COc1ccc([N+](=O)[O-])c(/C=N/N=C(\N)NO)c1OC.
What is the InChIKey of 2-[(E)-(2,3-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is LXMRTPULSXVTAL-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H13N5O5/c1-19-8-4-3-7(15(17)18)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-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(2,3-dimethoxy-6-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-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 11482959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).