O-[2-(3-nitrophenyl)ethyl]hydroxylamine

C8H10N2O3 — CID 67062828

IUPACO-[2-(3-nitrophenyl)ethyl]hydroxylamine
SMILESNOCCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c9-13-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4-5,9H2
InChIKeyVVZHOONZFKBTDK-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.03
Rot. Bonds4

About O-[2-(3-nitrophenyl)ethyl]hydroxylamine

O-[2-(3-nitrophenyl)ethyl]hydroxylamine (PubChem CID 67062828) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is O-[2-(3-nitrophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-nitrophenyl)ethyl]hydroxylamine
PubChem CID67062828
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC NameO-[2-(3-nitrophenyl)ethyl]hydroxylamine
SMILESNOCCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c9-13-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4-5,9H2
InChIKeyVVZHOONZFKBTDK-UHFFFAOYSA-N
XLogP1.03
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.03
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

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-nitrobenzene
CID 14316804
1-nitro-3-(2-phenoxyethyl)benzene
CID 54538108
1-(2-iodoethyl)-3-nitrobenzene
CID 53237888
CID 157363920
CID 157363920
1,1,1-trifluoro-4-(3-nitrophenyl)butan-2-amine
CID 117047387
4-O-[2-(3-nitrophenyl)ethyl] 1-O-propyl benzene-1,4-dicarboxylate
CID 91720637
1,3-dinitrobenzene;2-phenylethylbenzene
CID 174564688
benzyl 3-(3-nitrophenyl)propanoate
CID 155323351
5-O-[2-(3-nitrophenyl)ethyl] 1-O-nonyl pentanedioate
CID 91720015
5-O-(2-methylpropyl) 1-O-[2-(3-nitrophenyl)ethyl] pentanedioate
CID 91720009
10-O-(2-methylpropyl) 1-O-[2-(3-nitrophenyl)ethyl] decanedioate
CID 91720868
sodium 2-(3-nitrophenyl)acetate
CID 20571503

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-nitrophenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-nitrophenyl)ethyl]hydroxylamine (CID 67062828) is O-[2-(3-nitrophenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-nitrophenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-nitrophenyl)ethyl]hydroxylamine is NOCCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of O-[2-(3-nitrophenyl)ethyl]hydroxylamine?
The InChIKey is VVZHOONZFKBTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-13-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4-5,9H2.
What are the key properties of O-[2-(3-nitrophenyl)ethyl]hydroxylamine?
O-[2-(3-nitrophenyl)ethyl]hydroxylamine has a molecular weight of 182.18 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-nitrophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 67062828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).