1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine

C8H9N5O3 — CID 3664768

IUPAC1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1cccc([N+](=O)[O-])c1)NO
InChIInChI=1S/C8H9N5O3/c9-8(12-14)11-10-5-6-2-1-3-7(4-6)13(15)16/h1-5,14H,(H3,9,11,12)
InChIKeyNAODKFRURQYOFV-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.22
Rot. Bonds3

About 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine

1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine (PubChem CID 3664768) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
PubChem CID3664768
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1cccc([N+](=O)[O-])c1)NO
InChIInChI=1S/C8H9N5O3/c9-8(12-14)11-10-5-6-2-1-3-7(4-6)13(15)16/h1-5,14H,(H3,9,11,12)
InChIKeyNAODKFRURQYOFV-UHFFFAOYSA-N
XLogP0.22
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[(3-nitrophenyl)methylideneamino]propan-2-imine
CID 778583
1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine
CID 91318169
2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10158636
2-[(2-fluoro-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 90876369
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
CID 21204190
N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 173008077
2-[(E)-(4-bromo-3-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023981
2-[(E)-(3-bromophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 10113438
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine (CID 3664768) is 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine is NC(=NN=Cc1cccc([N+](=O)[O-])c1)NO.
What is the InChIKey of 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine?
The InChIKey is NAODKFRURQYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3/c9-8(12-14)11-10-5-6-2-1-3-7(4-6)13(15)16/h1-5,14H,(H3,9,11,12).
What are the key properties of 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine?
1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine has a molecular weight of 223.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 3664768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).