N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine

C9H11N3O6 — CID 87512299

IUPACN-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine
SMILESCCN(O)c1c([N+](=O)[O-])cc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O6/c1-3-10(13)9-7(11(14)15)4-6(18-2)5-8(9)12(16)17/h4-5,13H,3H2,1-2H3
InChIKeyGYMVNAZDCWELQY-UHFFFAOYSA-N
MW257.20 g/mol
LogP1.73
Rot. Bonds5

About N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine

N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine (PubChem CID 87512299) has the molecular formula C9H11N3O6 and a molecular weight of 257.20 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine
PubChem CID87512299
Molecular FormulaC9H11N3O6
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC NameN-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine
SMILESCCN(O)c1c([N+](=O)[O-])cc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O6/c1-3-10(13)9-7(11(14)15)4-6(18-2)5-8(9)12(16)17/h4-5,13H,3H2,1-2H3
InChIKeyGYMVNAZDCWELQY-UHFFFAOYSA-N
XLogP1.73
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethyl-2,5-dimethoxy-3-nitrobenzene
CID 71106488
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888
2-(N-ethyl-4-methoxy-2-nitroanilino)acetic acid
CID 54900187
2-(2-bromo-4-methoxy-6-nitrophenyl)acetic acid
CID 171007604
2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol
CID 159513130
3-(4,5-dimethoxy-2-nitrophenyl)-1,1-diethylurea
CID 110445111
2-bromo-1-(2-bromo-4-methoxy-6-nitrophenyl)ethanone
CID 171007807
2-(2-chloro-4-methoxy-6-nitrophenyl)acetic acid
CID 171002728
N,4-diethyl-N-methoxy-2,6-dinitroaniline
CID 21329883
2-hydroxy-4-methoxy-6-nitrobenzoic acid
CID 170739780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine?
The IUPAC name of N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine (CID 87512299) is N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine.
What is the SMILES notation for N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine?
The canonical SMILES for N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine is CCN(O)c1c([N+](=O)[O-])cc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine?
The InChIKey is GYMVNAZDCWELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6/c1-3-10(13)9-7(11(14)15)4-6(18-2)5-8(9)12(16)17/h4-5,13H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine?
N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine has a molecular weight of 257.20 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine is sourced from PubChem (CID 87512299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).