N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine

C9H10ClNO — CID 154334394

IUPACN-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine
SMILESCCc1cccc(Cl)c1C=NO
InChIInChI=1S/C9H10ClNO/c1-2-7-4-3-5-9(10)8(7)6-11-12/h3-6,12H,2H2,1H3
InChIKeyBFUAJTAXTKZGPZ-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.71
Rot. Bonds2

About N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine

N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine (PubChem CID 154334394) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine
PubChem CID154334394
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine
SMILESCCc1cccc(Cl)c1C=NO
InChIInChI=1S/C9H10ClNO/c1-2-7-4-3-5-9(10)8(7)6-11-12/h3-6,12H,2H2,1H3
InChIKeyBFUAJTAXTKZGPZ-UHFFFAOYSA-N
XLogP2.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.71
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'}

Analyze N-[(2-chloro-6-ethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine (CID 154334394) is N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine is CCc1cccc(Cl)c1C=NO.
What is the InChIKey of N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine?
The InChIKey is BFUAJTAXTKZGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-7-4-3-5-9(10)8(7)6-11-12/h3-6,12H,2H2,1H3.
What are the key properties of N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine?
N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine has a molecular weight of 183.64 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-ethylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 154334394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).