(NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine

C10H7Cl2NO2 — CID 6894421

IUPAC(NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
SMILESC#CCOc1c(Cl)cc(/C=N/O)cc1Cl
InChIInChI=1S/C10H7Cl2NO2/c1-2-3-15-10-8(11)4-7(6-13-14)5-9(10)12/h1,4-6,14H,3H2/b13-6+
InChIKeyPXWRQHWSZOBVSM-AWNIVKPZSA-N
MW244.08 g/mol
LogP2.81
Rot. Bonds3

About (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine (PubChem CID 6894421) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
PubChem CID6894421
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name(NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
SMILESC#CCOc1c(Cl)cc(/C=N/O)cc1Cl
InChIInChI=1S/C10H7Cl2NO2/c1-2-3-15-10-8(11)4-7(6-13-14)5-9(10)12/h1,4-6,14H,3H2/b13-6+
InChIKeyPXWRQHWSZOBVSM-AWNIVKPZSA-N
XLogP2.81
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.81
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 124581265
(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine
CID 168529155
(NE)-N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 6898142
(NZ)-N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968453
N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide
CID 8989397
(Z)-3-(3,5-dichloro-4-prop-2-ynoxyphenyl)-2-phenylprop-2-enenitrile
CID 126051284
N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 2287439
(NZ)-N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968463
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate
CID 9012927
N-[(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059999
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine (CID 6894421) is (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine is C#CCOc1c(Cl)cc(/C=N/O)cc1Cl.
What is the InChIKey of (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
The InChIKey is PXWRQHWSZOBVSM-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c1-2-3-15-10-8(11)4-7(6-13-14)5-9(10)12/h1,4-6,14H,3H2/b13-6+.
What are the key properties of (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine has a molecular weight of 244.08 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6894421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).