(NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine

C10H12ClNO3 — CID 6874334

IUPAC(NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1cc(/C=N/O)cc(Cl)c1OC
InChIInChI=1S/C10H12ClNO3/c1-3-15-9-5-7(6-12-13)4-8(11)10(9)14-2/h4-6,13H,3H2,1-2H3/b12-6+
InChIKeyKSIQIJQOBJLICW-WUXMJOGZSA-N
MW229.66 g/mol
LogP2.56
Rot. Bonds4

About (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 6874334) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID6874334
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1cc(/C=N/O)cc(Cl)c1OC
InChIInChI=1S/C10H12ClNO3/c1-3-15-9-5-7(6-12-13)4-8(11)10(9)14-2/h4-6,13H,3H2,1-2H3/b12-6+
InChIKeyKSIQIJQOBJLICW-WUXMJOGZSA-N
XLogP2.56
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine (CID 6874334) is (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine is CCOc1cc(/C=N/O)cc(Cl)c1OC.
What is the InChIKey of (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is KSIQIJQOBJLICW-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-3-15-9-5-7(6-12-13)4-8(11)10(9)14-2/h4-6,13H,3H2,1-2H3/b12-6+.
What are the key properties of (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 229.66 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6874334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).