3-ethenyl-N-(methylaminooxy)aniline

C9H12N2O — CID 123937410

IUPAC3-ethenyl-N-(methylaminooxy)aniline
SMILESC=Cc1cccc(NONC)c1
InChIInChI=1S/C9H12N2O/c1-3-8-5-4-6-9(7-8)11-12-10-2/h3-7,10-11H,1H2,2H3
InChIKeyGURBMTUHFIUXOI-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.81
Rot. Bonds4

About 3-ethenyl-N-(methylaminooxy)aniline

3-ethenyl-N-(methylaminooxy)aniline (PubChem CID 123937410) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-ethenyl-N-(methylaminooxy)aniline.

Molecular Properties

Compound Name3-ethenyl-N-(methylaminooxy)aniline
PubChem CID123937410
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-ethenyl-N-(methylaminooxy)aniline
SMILESC=Cc1cccc(NONC)c1
InChIInChI=1S/C9H12N2O/c1-3-8-5-4-6-9(7-8)11-12-10-2/h3-7,10-11H,1H2,2H3
InChIKeyGURBMTUHFIUXOI-UHFFFAOYSA-N
XLogP1.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(3-ethenylphenyl)hydrazine
CID 15474198
(3-ethenylphenyl)hydrazine;hydrochloride
CID 67928717
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1-ethenyl-3-methylbenzene
CID 7529
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646
1-ethenyl-3-ethoxybenzene
CID 11672687
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine
CID 169473165
1,3-bis(ethenyl)benzene;tetraethyl silicate
CID 175524918
ethane;3-ethenyl-N,N-diphenylaniline
CID 123345777
4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine
CID 127255387
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-(methylaminooxy)aniline?
The IUPAC name of 3-ethenyl-N-(methylaminooxy)aniline (CID 123937410) is 3-ethenyl-N-(methylaminooxy)aniline.
What is the SMILES notation for 3-ethenyl-N-(methylaminooxy)aniline?
The canonical SMILES for 3-ethenyl-N-(methylaminooxy)aniline is C=Cc1cccc(NONC)c1.
What is the InChIKey of 3-ethenyl-N-(methylaminooxy)aniline?
The InChIKey is GURBMTUHFIUXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-8-5-4-6-9(7-8)11-12-10-2/h3-7,10-11H,1H2,2H3.
What are the key properties of 3-ethenyl-N-(methylaminooxy)aniline?
3-ethenyl-N-(methylaminooxy)aniline has a molecular weight of 164.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-(methylaminooxy)aniline is sourced from PubChem (CID 123937410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).