N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine

C9H11NO3 — CID 2755791

IUPACN-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(OC)c(C=NO)c1
InChIInChI=1S/C9H11NO3/c1-12-8-3-4-9(13-2)7(5-8)6-10-11/h3-6,11H,1-2H3
InChIKeyPJDJPYGFERKCDR-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.51
Rot. Bonds3

About N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine

N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine (PubChem CID 2755791) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
PubChem CID2755791
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(OC)c(C=NO)c1
InChIInChI=1S/C9H11NO3/c1-12-8-3-4-9(13-2)7(5-8)6-10-11/h3-6,11H,1-2H3
InChIKeyPJDJPYGFERKCDR-UHFFFAOYSA-N
XLogP1.51
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 26596685
3-[(Z)-hydroxyiminomethyl]-4-methoxybenzonitrile
CID 87293148
1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
CID 10539917
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
CID 130417604
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173058134
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
CID 46839985
2-(2-iodoethenyl)-1,4-dimethoxybenzene
CID 57364234
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine (CID 2755791) is N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine is COc1ccc(OC)c(C=NO)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is PJDJPYGFERKCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-8-3-4-9(13-2)7(5-8)6-10-11/h3-6,11H,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine?
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 181.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 2755791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).