(NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine

C8H8N2O3 — CID 5373043

IUPAC(NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c1-6(9-11)7-4-2-3-5-8(7)10(12)13/h2-5,11H,1H3/b9-6-
InChIKeyUPUZSBSTYMFQCK-TWGQIWQCSA-N
MW180.16 g/mol
LogP1.79
Rot. Bonds2

About (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine

(NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine (PubChem CID 5373043) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine
PubChem CID5373043
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name(NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c1-6(9-11)7-4-2-3-5-8(7)10(12)13/h2-5,11H,1H3/b9-6-
InChIKeyUPUZSBSTYMFQCK-TWGQIWQCSA-N
XLogP1.79
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Nitrotoluene
CID 6944
Nitro-p-xylene
CID 6974
2,2'-Dinitrobibenzyl
CID 28168
1,2-Dimethyl-3-nitrobenzene
CID 6739
2-Nitrophenylacetonitrile
CID 11888
4-Nitrobenzaldoxime
CID 5374046
4-Ethylnitrobenzene
CID 7480
Benzene, 1,1'-(1,2-ethenediyl)bis(2-nitro-
CID 5704852
1-Ethyl-2-nitrobenzene
CID 69156
2,2'-Dinitrobiphenyl
CID 75529
1-Nitro-2-propylbenzene
CID 138939
3H-Indole, 2,3,3-trimethyl-5-nitro-
CID 97551

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine (CID 5373043) is (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine is C/C(=N/O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine?
The InChIKey is UPUZSBSTYMFQCK-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-6(9-11)7-4-2-3-5-8(7)10(12)13/h2-5,11H,1H3/b9-6-.
What are the key properties of (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine?
(NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine has a molecular weight of 180.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2-nitrophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 5373043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).