N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine

C10H11NO2 — CID 659181

IUPACN-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1ccccc1C=NO
InChIInChI=1S/C10H11NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11-12/h2-6,8,12H,1,7H2
InChIKeyPCWLXHIQGXUSCE-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.06
Rot. Bonds4

About N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine

N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine (PubChem CID 659181) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
PubChem CID659181
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1ccccc1C=NO
InChIInChI=1S/C10H11NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11-12/h2-6,8,12H,1,7H2
InChIKeyPCWLXHIQGXUSCE-UHFFFAOYSA-N
XLogP2.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681760
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
2-[2-(hydroxyiminomethyl)phenoxy]acetamide
CID 57365599
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20991908
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine (CID 659181) is N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine is C=CCOc1ccccc1C=NO.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The InChIKey is PCWLXHIQGXUSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11-12/h2-6,8,12H,1,7H2.
What are the key properties of N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine has a molecular weight of 177.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 659181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).