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

C13H15NO2 — CID 14972997

IUPAC(NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine
SMILESCOc1ccc(C2=C/C(=N\O)CCC2)cc1
InChIInChI=1S/C13H15NO2/c1-16-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14-15/h5-9,15H,2-4H2,1H3/b14-12-
InChIKeyUITDBBIMYUEIDV-OWBHPGMISA-N
MW217.27 g/mol
LogP3.09
Rot. Bonds2

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

(NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine (PubChem CID 14972997) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine
PubChem CID14972997
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine
SMILESCOc1ccc(C2=C/C(=N\O)CCC2)cc1
InChIInChI=1S/C13H15NO2/c1-16-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14-15/h5-9,15H,2-4H2,1H3/b14-12-
InChIKeyUITDBBIMYUEIDV-OWBHPGMISA-N
XLogP3.09
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.09
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-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine (CID 14972997) is (NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine is COc1ccc(C2=C/C(=N\O)CCC2)cc1.
What is the InChIKey of (NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine?
The InChIKey is UITDBBIMYUEIDV-OWBHPGMISA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14-15/h5-9,15H,2-4H2,1H3/b14-12-.
What are the key properties of (NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine?
(NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 14972997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).