N-(2-chloro-1-phenylethylidene)hydroxylamine

C8H8ClNO — CID 3537764

IUPACN-(2-chloro-1-phenylethylidene)hydroxylamine
SMILESON=C(CCl)c1ccccc1
InChIInChI=1S/C8H8ClNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyVLXDSXLUNPBBOT-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.10
Rot. Bonds2

About N-(2-chloro-1-phenylethylidene)hydroxylamine

N-(2-chloro-1-phenylethylidene)hydroxylamine (PubChem CID 3537764) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethylidene)hydroxylamine
PubChem CID3537764
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC NameN-(2-chloro-1-phenylethylidene)hydroxylamine
SMILESON=C(CCl)c1ccccc1
InChIInChI=1S/C8H8ClNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyVLXDSXLUNPBBOT-UHFFFAOYSA-N
XLogP2.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 N-(2-chloro-1-phenylethylidene)hydroxylamine?
The IUPAC name of N-(2-chloro-1-phenylethylidene)hydroxylamine (CID 3537764) is N-(2-chloro-1-phenylethylidene)hydroxylamine.
What is the SMILES notation for N-(2-chloro-1-phenylethylidene)hydroxylamine?
The canonical SMILES for N-(2-chloro-1-phenylethylidene)hydroxylamine is ON=C(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethylidene)hydroxylamine?
The InChIKey is VLXDSXLUNPBBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6H2.
What are the key properties of N-(2-chloro-1-phenylethylidene)hydroxylamine?
N-(2-chloro-1-phenylethylidene)hydroxylamine has a molecular weight of 169.61 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethylidene)hydroxylamine is sourced from PubChem (CID 3537764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).