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

C14H17NO3 — CID 126079797

IUPAC(NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
SMILESC=CCOc1c(CC=C)cc(/C=N\O)cc1OC
InChIInChI=1S/C14H17NO3/c1-4-6-12-8-11(10-15-16)9-13(17-3)14(12)18-7-5-2/h4-5,8-10,16H,1-2,6-7H2,3H3/b15-10-
InChIKeyMYNRLZFWDCGIDD-GDNBJRDFSA-N
MW247.29 g/mol
LogP2.80
Rot. Bonds7

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

(NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine (PubChem CID 126079797) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
PubChem CID126079797
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
SMILESC=CCOc1c(CC=C)cc(/C=N\O)cc1OC
InChIInChI=1S/C14H17NO3/c1-4-6-12-8-11(10-15-16)9-13(17-3)14(12)18-7-5-2/h4-5,8-10,16H,1-2,6-7H2,3H3/b15-10-
InChIKeyMYNRLZFWDCGIDD-GDNBJRDFSA-N
XLogP2.80
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.80
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-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
CID 126075385
(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine
CID 126081313
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidenehydrazine
CID 168530223
N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618221
N-[(Z)-(3,4-dimethoxy-5-prop-2-enylphenyl)methylideneamino]acetamide
CID 126021403
(NZ)-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]hydroxylamine
CID 126080838
(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
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
CID 19617662
(NZ)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 5407943
2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine
CID 168592929

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine (CID 126079797) is (NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine is C=CCOc1c(CC=C)cc(/C=N\O)cc1OC.
What is the InChIKey of (NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine?
The InChIKey is MYNRLZFWDCGIDD-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-6-12-8-11(10-15-16)9-13(17-3)14(12)18-7-5-2/h4-5,8-10,16H,1-2,6-7H2,3H3/b15-10-.
What are the key properties of (NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine?
(NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine has a molecular weight of 247.29 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 126079797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).