N-amino-N-[(2-hydroxyphenyl)methyl]nitramide

C7H9N3O3 — CID 141472413

IUPACN-amino-N-[(2-hydroxyphenyl)methyl]nitramide
SMILESNN(Cc1ccccc1O)[N+](=O)[O-]
InChIInChI=1S/C7H9N3O3/c8-9(10(12)13)5-6-3-1-2-4-7(6)11/h1-4,11H,5,8H2
InChIKeyUXSMEAJWHOVWEL-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.26
Rot. Bonds3

About N-amino-N-[(2-hydroxyphenyl)methyl]nitramide

N-amino-N-[(2-hydroxyphenyl)methyl]nitramide (PubChem CID 141472413) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-amino-N-[(2-hydroxyphenyl)methyl]nitramide.

Molecular Properties

Compound NameN-amino-N-[(2-hydroxyphenyl)methyl]nitramide
PubChem CID141472413
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-amino-N-[(2-hydroxyphenyl)methyl]nitramide
SMILESNN(Cc1ccccc1O)[N+](=O)[O-]
InChIInChI=1S/C7H9N3O3/c8-9(10(12)13)5-6-3-1-2-4-7(6)11/h1-4,11H,5,8H2
InChIKeyUXSMEAJWHOVWEL-UHFFFAOYSA-N
XLogP0.26
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-amino-N-[(2-hydroxyphenyl)methyl]nitramide?
The IUPAC name of N-amino-N-[(2-hydroxyphenyl)methyl]nitramide (CID 141472413) is N-amino-N-[(2-hydroxyphenyl)methyl]nitramide.
What is the SMILES notation for N-amino-N-[(2-hydroxyphenyl)methyl]nitramide?
The canonical SMILES for N-amino-N-[(2-hydroxyphenyl)methyl]nitramide is NN(Cc1ccccc1O)[N+](=O)[O-].
What is the InChIKey of N-amino-N-[(2-hydroxyphenyl)methyl]nitramide?
The InChIKey is UXSMEAJWHOVWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-9(10(12)13)5-6-3-1-2-4-7(6)11/h1-4,11H,5,8H2.
What are the key properties of N-amino-N-[(2-hydroxyphenyl)methyl]nitramide?
N-amino-N-[(2-hydroxyphenyl)methyl]nitramide has a molecular weight of 183.17 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[(2-hydroxyphenyl)methyl]nitramide is sourced from PubChem (CID 141472413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).