O-[(2-nitrophenyl)methyl]hydroxylamine

C7H8N2O3 — CID 2763494

IUPACO-[(2-nitrophenyl)methyl]hydroxylamine
SMILESNOCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c8-12-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5,8H2
InChIKeyNNAKUCHOAIBOTH-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.99
Rot. Bonds3

About O-[(2-nitrophenyl)methyl]hydroxylamine

O-[(2-nitrophenyl)methyl]hydroxylamine (PubChem CID 2763494) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is O-[(2-nitrophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-nitrophenyl)methyl]hydroxylamine
PubChem CID2763494
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameO-[(2-nitrophenyl)methyl]hydroxylamine
SMILESNOCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c8-12-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5,8H2
InChIKeyNNAKUCHOAIBOTH-UHFFFAOYSA-N
XLogP0.99
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-nitrophenyl)methoxymethanamine
CID 175012109
(2-nitrophenyl)methyl carbamate
CID 21490181
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
(2-nitrophenyl)methyl 2,2-dihydroxyacetate
CID 70483540
(2-nitrophenyl)methyl sulfite
CID 89385987
(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745
(2-nitrophenyl)methyl deuteriophosphanylformate
CID 59423019
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985
bis[(2-nitrophenyl)methyl] piperazine-1,4-dicarboxylate
CID 87193432
bis[(2-nitrophenyl)methoxy]-diphenylsilane
CID 22342274
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
(2-nitrophenyl)methanol
CID 11923

Frequently Asked Questions

What is the IUPAC name of O-[(2-nitrophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2-nitrophenyl)methyl]hydroxylamine (CID 2763494) is O-[(2-nitrophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-nitrophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-nitrophenyl)methyl]hydroxylamine is NOCc1ccccc1[N+](=O)[O-].
What is the InChIKey of O-[(2-nitrophenyl)methyl]hydroxylamine?
The InChIKey is NNAKUCHOAIBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-12-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5,8H2.
What are the key properties of O-[(2-nitrophenyl)methyl]hydroxylamine?
O-[(2-nitrophenyl)methyl]hydroxylamine has a molecular weight of 168.15 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-nitrophenyl)methyl]hydroxylamine is sourced from PubChem (CID 2763494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).