(NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine

C9H10ClNO2 — CID 6898186

IUPAC(NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1ccc(Cl)cc1/C=N/O
InChIInChI=1S/C9H10ClNO2/c1-2-13-9-4-3-8(10)5-7(9)6-11-12/h3-6,12H,2H2,1H3/b11-6+
InChIKeySZQSNXQHMPOTLI-IZZDOVSWSA-N
MW199.64 g/mol
LogP2.55
Rot. Bonds3

About (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine (PubChem CID 6898186) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine
PubChem CID6898186
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1ccc(Cl)cc1/C=N/O
InChIInChI=1S/C9H10ClNO2/c1-2-13-9-4-3-8(10)5-7(9)6-11-12/h3-6,12H,2H2,1H3/b11-6+
InChIKeySZQSNXQHMPOTLI-IZZDOVSWSA-N
XLogP2.55
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.55
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 (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine (CID 6898186) is (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine is CCOc1ccc(Cl)cc1/C=N/O.
What is the InChIKey of (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is SZQSNXQHMPOTLI-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-13-9-4-3-8(10)5-7(9)6-11-12/h3-6,12H,2H2,1H3/b11-6+.
What are the key properties of (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 199.64 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-chloro-2-ethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6898186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).