(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine

C8H7ClN2O2 — CID 137309663

IUPAC(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
SMILESO/N=C/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN2O2/c9-7-3-1-6(2-4-7)8(11-13)5-10-12/h1-5,12-13H/b10-5+,11-8-
InChIKeyNJOOHWMFLNMYGF-REZFLJOXSA-N
MW198.61 g/mol
LogP1.98
Rot. Bonds2

About (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine

(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine (PubChem CID 137309663) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
PubChem CID137309663
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
SMILESO/N=C/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN2O2/c9-7-3-1-6(2-4-7)8(11-13)5-10-12/h1-5,12-13H/b10-5+,11-8-
InChIKeyNJOOHWMFLNMYGF-REZFLJOXSA-N
XLogP1.98
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.98
H-Bond Donors ≤ 52
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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Related Compounds

(2Z)-1-(4-chlorophenyl)-2-hydroxyiminoethanone
CID 6399483
(NE)-N-[(E)-1,3-bis(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 70693742
(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 11121251
(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
CID 173159716
(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
CID 136643584
1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
CID 101072284
1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
CID 11445579
4-chloro-N,N'-dihydroxybenzenecarboximidamide
CID 165349472
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946
(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
CID 5358741
N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine
CID 143835017

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine (CID 137309663) is (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine is O/N=C/C(=N/O)c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine?
The InChIKey is NJOOHWMFLNMYGF-REZFLJOXSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-7-3-1-6(2-4-7)8(11-13)5-10-12/h1-5,12-13H/b10-5+,11-8-.
What are the key properties of (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine?
(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine has a molecular weight of 198.61 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine is sourced from PubChem (CID 137309663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).