(NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine

C11H14ClNO3 — CID 5416456

IUPAC(NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1cc(/C=N\O)cc(Cl)c1OCC
InChIInChI=1S/C11H14ClNO3/c1-3-15-10-6-8(7-13-14)5-9(12)11(10)16-4-2/h5-7,14H,3-4H2,1-2H3/b13-7-
InChIKeySIJIYDWEUKZGFL-QPEQYQDCSA-N
MW243.69 g/mol
LogP2.95
Rot. Bonds5

About (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine (PubChem CID 5416456) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine
PubChem CID5416456
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1cc(/C=N\O)cc(Cl)c1OCC
InChIInChI=1S/C11H14ClNO3/c1-3-15-10-6-8(7-13-14)5-9(12)11(10)16-4-2/h5-7,14H,3-4H2,1-2H3/b13-7-
InChIKeySIJIYDWEUKZGFL-QPEQYQDCSA-N
XLogP2.95
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.95
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 (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine (CID 5416456) is (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine is CCOc1cc(/C=N\O)cc(Cl)c1OCC.
What is the InChIKey of (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is SIJIYDWEUKZGFL-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-3-15-10-6-8(7-13-14)5-9(12)11(10)16-4-2/h5-7,14H,3-4H2,1-2H3/b13-7-.
What are the key properties of (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 243.69 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-chloro-4,5-diethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5416456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).