(NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine

C13H17NO3 — CID 126075385

IUPAC(NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
SMILESC=CCc1cc(/C=N\O)cc(OC)c1OCC
InChIInChI=1S/C13H17NO3/c1-4-6-11-7-10(9-14-15)8-12(16-3)13(11)17-5-2/h4,7-9,15H,1,5-6H2,2-3H3/b14-9-
InChIKeyUCWCJNJSBHNWGT-ZROIWOOFSA-N
MW235.28 g/mol
LogP2.63
Rot. Bonds6

About (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine

(NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine (PubChem CID 126075385) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
PubChem CID126075385
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
SMILESC=CCc1cc(/C=N\O)cc(OC)c1OCC
InChIInChI=1S/C13H17NO3/c1-4-6-11-7-10(9-14-15)8-12(16-3)13(11)17-5-2/h4,7-9,15H,1,5-6H2,2-3H3/b14-9-
InChIKeyUCWCJNJSBHNWGT-ZROIWOOFSA-N
XLogP2.63
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
CID 126079797
(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine
CID 126081313
(NZ)-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]hydroxylamine
CID 126080838
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidenehydrazine
CID 168530223
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
N-[(Z)-(3,4-dimethoxy-5-prop-2-enylphenyl)methylideneamino]acetamide
CID 126021403
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea
CID 168532862
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932
2-[(2Z)-2-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 6158314
N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618221

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine (CID 126075385) is (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine is C=CCc1cc(/C=N\O)cc(OC)c1OCC.
What is the InChIKey of (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine?
The InChIKey is UCWCJNJSBHNWGT-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-6-11-7-10(9-14-15)8-12(16-3)13(11)17-5-2/h4,7-9,15H,1,5-6H2,2-3H3/b14-9-.
What are the key properties of (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine?
(NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine has a molecular weight of 235.28 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 126075385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).