(NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine

C19H19NO2 — CID 124565901

IUPAC(NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine
SMILESCOc1ccccc1[C@@H]1CC/C(=N/O)C=C1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-22-19-10-6-5-9-17(19)16-12-11-15(20-21)13-18(16)14-7-3-2-4-8-14/h2-10,13,16,21H,11-12H2,1H3/b20-15-/t16-/m0/s1
InChIKeyWTJUVGWPSPNCOZ-UKEODDKASA-N
MW293.37 g/mol
LogP4.49
Rot. Bonds3

About (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine

(NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine (PubChem CID 124565901) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine
PubChem CID124565901
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine
SMILESCOc1ccccc1[C@@H]1CC/C(=N/O)C=C1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-22-19-10-6-5-9-17(19)16-12-11-15(20-21)13-18(16)14-7-3-2-4-8-14/h2-10,13,16,21H,11-12H2,1H3/b20-15-/t16-/m0/s1
InChIKeyWTJUVGWPSPNCOZ-UKEODDKASA-N
XLogP4.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine (CID 124565901) is (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine is COc1ccccc1[C@@H]1CC/C(=N/O)C=C1c1ccccc1.
What is the InChIKey of (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine?
The InChIKey is WTJUVGWPSPNCOZ-UKEODDKASA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-19-10-6-5-9-17(19)16-12-11-15(20-21)13-18(16)14-7-3-2-4-8-14/h2-10,13,16,21H,11-12H2,1H3/b20-15-/t16-/m0/s1.
What are the key properties of (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine?
(NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine has a molecular weight of 293.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4R)-4-(2-methoxyphenyl)-3-phenylcyclohex-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 124565901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).