(NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine

C11H15NO2 — CID 21429264

IUPAC(NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine
SMILESC/C(COc1c(C)cccc1C)=N\O
InChIInChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)14-7-10(3)12-13/h4-6,13H,7H2,1-3H3/b12-10+
InChIKeyDJQNMCARGAAZBX-ZRDIBKRKSA-N
MW193.25 g/mol
LogP2.53
Rot. Bonds3

About (NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine

(NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine (PubChem CID 21429264) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine
PubChem CID21429264
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine
SMILESC/C(COc1c(C)cccc1C)=N\O
InChIInChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)14-7-10(3)12-13/h4-6,13H,7H2,1-3H3/b12-10+
InChIKeyDJQNMCARGAAZBX-ZRDIBKRKSA-N
XLogP2.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine (CID 21429264) is (NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine is C/C(COc1c(C)cccc1C)=N\O.
What is the InChIKey of (NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine?
The InChIKey is DJQNMCARGAAZBX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)14-7-10(3)12-13/h4-6,13H,7H2,1-3H3/b12-10+.
What are the key properties of (NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine has a molecular weight of 193.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 21429264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).