N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine

C11H14NO4- — CID 163177021

IUPACN-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine
SMILESCOc1cc(C=CN([O-])O)c(OC)cc1C
InChIInChI=1S/C11H14NO4/c1-8-6-11(16-3)9(4-5-12(13)14)7-10(8)15-2/h4-7,13H,1-3H3/q-1
InChIKeyQJFWKZJYQMRYNO-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.17
Rot. Bonds4

About N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine

N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine (PubChem CID 163177021) has the molecular formula C11H14NO4- and a molecular weight of 224.24 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine
PubChem CID163177021
Molecular FormulaC11H14NO4-
Molecular Weight224.24 g/mol
Exact Mass224.09
IUPAC NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine
SMILESCOc1cc(C=CN([O-])O)c(OC)cc1C
InChIInChI=1S/C11H14NO4/c1-8-6-11(16-3)9(4-5-12(13)14)7-10(8)15-2/h4-7,13H,1-3H3/q-1
InChIKeyQJFWKZJYQMRYNO-UHFFFAOYSA-N
XLogP2.17
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide
CID 163177020
(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
CID 10512550
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-(2,4-dimethoxy-5-methylphenyl)prop-2-enoic acid
CID 67628018
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
3-(2,5-dimethoxy-4-methylphenyl)-2-methylprop-2-enenitrile
CID 59062076
(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine
CID 98017457
1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene
CID 10707027
N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
(E)-3-(4-methoxy-2,5-dimethylphenyl)prop-2-enoic acid
CID 6299093
4-(4-methoxy-2,5-dimethylphenyl)but-3-ene-1-thiol
CID 170478636
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine?
The IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine (CID 163177021) is N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine is COc1cc(C=CN([O-])O)c(OC)cc1C.
What is the InChIKey of N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine?
The InChIKey is QJFWKZJYQMRYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO4/c1-8-6-11(16-3)9(4-5-12(13)14)7-10(8)15-2/h4-7,13H,1-3H3/q-1.
What are the key properties of N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine?
N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine has a molecular weight of 224.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163177021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).