O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine

C17H15ClN2O3 — CID 70449636

IUPACO-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine
SMILESNO/C(=C(/c1ccc(Cl)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15ClN2O3/c18-14-7-3-12(4-8-14)16(11-1-2-11)17(23-19)13-5-9-15(10-6-13)20(21)22/h3-11H,1-2,19H2/b17-16+
InChIKeySSTMLJCSJRNTKJ-WUKNDPDISA-N
MW330.77 g/mol
LogP4.42
Rot. Bonds5

About O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine

O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine (PubChem CID 70449636) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine
PubChem CID70449636
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameO-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine
SMILESNO/C(=C(/c1ccc(Cl)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15ClN2O3/c18-14-7-3-12(4-8-14)16(11-1-2-11)17(23-19)13-5-9-15(10-6-13)20(21)22/h3-11H,1-2,19H2/b17-16+
InChIKeySSTMLJCSJRNTKJ-WUKNDPDISA-N
XLogP4.42
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine?
The IUPAC name of O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine (CID 70449636) is O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine.
What is the SMILES notation for O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine?
The canonical SMILES for O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine is NO/C(=C(/c1ccc(Cl)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine?
The InChIKey is SSTMLJCSJRNTKJ-WUKNDPDISA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-14-7-3-12(4-8-14)16(11-1-2-11)17(23-19)13-5-9-15(10-6-13)20(21)22/h3-11H,1-2,19H2/b17-16+.
What are the key properties of O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine?
O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine has a molecular weight of 330.77 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-2-(4-chlorophenyl)-2-cyclopropyl-1-(4-nitrophenyl)ethenyl]hydroxylamine is sourced from PubChem (CID 70449636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).