(NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine

C10H12N2O5 — CID 134096596

IUPAC(NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine
SMILESCOc1cc([N+](=O)[O-])ccc1OC/C(C)=N/O
InChIInChI=1S/C10H12N2O5/c1-7(11-13)6-17-9-4-3-8(12(14)15)5-10(9)16-2/h3-5,13H,6H2,1-2H3/b11-7+
InChIKeyNWDDWCDKKBZQKE-YRNVUSSQSA-N
MW240.22 g/mol
LogP1.83
Rot. Bonds5

About (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine

(NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine (PubChem CID 134096596) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine
PubChem CID134096596
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name(NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine
SMILESCOc1cc([N+](=O)[O-])ccc1OC/C(C)=N/O
InChIInChI=1S/C10H12N2O5/c1-7(11-13)6-17-9-4-3-8(12(14)15)5-10(9)16-2/h3-5,13H,6H2,1-2H3/b11-7+
InChIKeyNWDDWCDKKBZQKE-YRNVUSSQSA-N
XLogP1.83
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
CID 55036254
2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone
CID 60606157
tert-butyl 2-(2-methoxy-4-nitrophenoxy)acetate
CID 58858118
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
trifluoro-[(2-methoxy-4-nitrophenoxy)methyl]boranuide
CID 63703665
4-(2-methoxy-5-nitrophenoxy)-3-methylbut-2-enoic acid
CID 77005459
1-(furan-2-yl)-2-(2-methoxy-4-nitrophenoxy)ethanone
CID 62109954
2,6-dichloro-3-[(2-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
N'-hydroxy-4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 77062541

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine (CID 134096596) is (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine is COc1cc([N+](=O)[O-])ccc1OC/C(C)=N/O.
What is the InChIKey of (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine?
The InChIKey is NWDDWCDKKBZQKE-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-7(11-13)6-17-9-4-3-8(12(14)15)5-10(9)16-2/h3-5,13H,6H2,1-2H3/b11-7+.
What are the key properties of (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine has a molecular weight of 240.22 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 134096596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).