(NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine

C11H15NO4 — CID 6372484

IUPAC(NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N\O)cc(OC)c1OC
InChIInChI=1S/C11H15NO4/c1-7(12-13)8-5-9(14-2)11(16-4)10(6-8)15-3/h5-6,13H,1-4H3/b12-7-
InChIKeyLGCDHCGMGDSSIO-GHXNOFRVSA-N
MW225.24 g/mol
LogP1.91
Rot. Bonds4

About (NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine

(NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine (PubChem CID 6372484) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine
PubChem CID6372484
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N\O)cc(OC)c1OC
InChIInChI=1S/C11H15NO4/c1-7(12-13)8-5-9(14-2)11(16-4)10(6-8)15-3/h5-6,13H,1-4H3/b12-7-
InChIKeyLGCDHCGMGDSSIO-GHXNOFRVSA-N
XLogP1.91
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine (CID 6372484) is (NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine is COc1cc(/C(C)=N\O)cc(OC)c1OC.
What is the InChIKey of (NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is LGCDHCGMGDSSIO-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(12-13)8-5-9(14-2)11(16-4)10(6-8)15-3/h5-6,13H,1-4H3/b12-7-.
What are the key properties of (NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine?
(NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 225.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 6372484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).