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

C10H13NO — CID 5373878

IUPAC(NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine
SMILESCc1cc(C)c(/C=N/O)c(C)c1
InChIInChI=1S/C10H13NO/c1-7-4-8(2)10(6-11-12)9(3)5-7/h4-6,12H,1-3H3/b11-6+
InChIKeyQYZKLTLEVQDKFJ-IZZDOVSWSA-N
MW163.22 g/mol
LogP2.42
Rot. Bonds1

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

(NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine (PubChem CID 5373878) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine
PubChem CID5373878
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine
SMILESCc1cc(C)c(/C=N/O)c(C)c1
InChIInChI=1S/C10H13NO/c1-7-4-8(2)10(6-11-12)9(3)5-7/h4-6,12H,1-3H3/b11-6+
InChIKeyQYZKLTLEVQDKFJ-IZZDOVSWSA-N
XLogP2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.42
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-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine (CID 5373878) is (NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine is Cc1cc(C)c(/C=N/O)c(C)c1.
What is the InChIKey of (NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine?
The InChIKey is QYZKLTLEVQDKFJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-4-8(2)10(6-11-12)9(3)5-7/h4-6,12H,1-3H3/b11-6+.
What are the key properties of (NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine?
(NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5373878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).