(NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine

C13H15NO2 — CID 6393235

IUPAC(NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine
SMILESC=CCOc1ccc(/C=C/C(C)=N\O)cc1
InChIInChI=1S/C13H15NO2/c1-3-10-16-13-8-6-12(7-9-13)5-4-11(2)14-15/h3-9,15H,1,10H2,2H3/b5-4+,14-11-
InChIKeyGZTPGORZSGFMCE-QFERZNBHSA-N
MW217.27 g/mol
LogP3.11
Rot. Bonds5

About (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine

(NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine (PubChem CID 6393235) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine
PubChem CID6393235
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine
SMILESC=CCOc1ccc(/C=C/C(C)=N\O)cc1
InChIInChI=1S/C13H15NO2/c1-3-10-16-13-8-6-12(7-9-13)5-4-11(2)14-15/h3-9,15H,1,10H2,2H3/b5-4+,14-11-
InChIKeyGZTPGORZSGFMCE-QFERZNBHSA-N
XLogP3.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.11
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'}

Analyze (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine (CID 6393235) is (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine is C=CCOc1ccc(/C=C/C(C)=N\O)cc1.
What is the InChIKey of (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
The InChIKey is GZTPGORZSGFMCE-QFERZNBHSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-10-16-13-8-6-12(7-9-13)5-4-11(2)14-15/h3-9,15H,1,10H2,2H3/b5-4+,14-11-.
What are the key properties of (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
(NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-4-(4-prop-2-enoxyphenyl)but-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 6393235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).