(NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine

C11H14N2O2 — CID 5338006

IUPAC(NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine
SMILESCc1cc(C)c(/C=N/O)c(C)c1/C=N/O
InChIInChI=1S/C11H14N2O2/c1-7-4-8(2)11(6-13-15)9(3)10(7)5-12-14/h4-6,14-15H,1-3H3/b12-5+,13-6+
InChIKeyFYLWOGBAOLEELA-BYDSPXIWSA-N
MW206.25 g/mol
LogP2.23
Rot. Bonds2

About (NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine

(NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine (PubChem CID 5338006) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine
PubChem CID5338006
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine
SMILESCc1cc(C)c(/C=N/O)c(C)c1/C=N/O
InChIInChI=1S/C11H14N2O2/c1-7-4-8(2)11(6-13-15)9(3)10(7)5-12-14/h4-6,14-15H,1-3H3/b12-5+,13-6+
InChIKeyFYLWOGBAOLEELA-BYDSPXIWSA-N
XLogP2.23
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine (CID 5338006) is (NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine is Cc1cc(C)c(/C=N/O)c(C)c1/C=N/O.
What is the InChIKey of (NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine?
The InChIKey is FYLWOGBAOLEELA-BYDSPXIWSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-4-8(2)11(6-13-15)9(3)10(7)5-12-14/h4-6,14-15H,1-3H3/b12-5+,13-6+.
What are the key properties of (NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine?
(NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine has a molecular weight of 206.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-[(E)-hydroxyiminomethyl]-2,4,6-trimethylphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 5338006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).