(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine

C9H10ClNO — CID 22256023

IUPAC(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(Cl)cc1C
InChIInChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)7(2)11-12/h3-5,12H,1-2H3/b11-7+
InChIKeyAXKVQFBYXXVUIE-YRNVUSSQSA-N
MW183.64 g/mol
LogP2.85
Rot. Bonds1

About (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine (PubChem CID 22256023) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
PubChem CID22256023
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(Cl)cc1C
InChIInChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)7(2)11-12/h3-5,12H,1-2H3/b11-7+
InChIKeyAXKVQFBYXXVUIE-YRNVUSSQSA-N
XLogP2.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-chloro-2-methylbenzoic acid;ethane
CID 145482472
4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol
CID 137262701
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103046785
(NE)-N-[1-(5-chloro-2-propoxyphenyl)ethylidene]hydroxylamine
CID 82081262
(NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine
CID 129363342
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718
(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine
CID 164677566
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
2-chloro-1-(4-chloro-2-methylphenyl)-2,2-difluoroethanone
CID 91658436
acetyl chloride;4-chloro-1,2-dimethylbenzene
CID 174808009
N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine
CID 86744936
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine (CID 22256023) is (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc(Cl)cc1C.
What is the InChIKey of (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is AXKVQFBYXXVUIE-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)7(2)11-12/h3-5,12H,1-2H3/b11-7+.
What are the key properties of (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 183.64 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 22256023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).