(NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine

C9H10ClNO — CID 139053635

IUPAC(NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine
SMILESCc1cc(Cl)cc(C)c1/C=N/O
InChIInChI=1S/C9H10ClNO/c1-6-3-8(10)4-7(2)9(6)5-11-12/h3-5,12H,1-2H3/b11-5+
InChIKeyXQUHKUNQSOSDSS-VZUCSPMQSA-N
MW183.64 g/mol
LogP2.76
Rot. Bonds1

About (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine

(NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine (PubChem CID 139053635) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine
PubChem CID139053635
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine
SMILESCc1cc(Cl)cc(C)c1/C=N/O
InChIInChI=1S/C9H10ClNO/c1-6-3-8(10)4-7(2)9(6)5-11-12/h3-5,12H,1-2H3/b11-5+
InChIKeyXQUHKUNQSOSDSS-VZUCSPMQSA-N
XLogP2.76
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 ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine (CID 139053635) is (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine is Cc1cc(Cl)cc(C)c1/C=N/O.
What is the InChIKey of (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine?
The InChIKey is XQUHKUNQSOSDSS-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-3-8(10)4-7(2)9(6)5-11-12/h3-5,12H,1-2H3/b11-5+.
What are the key properties of (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine has a molecular weight of 183.64 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 139053635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).