(NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine

C11H14N2O3 — CID 135481547

IUPAC(NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
SMILESCCOc1ccc(C(=N/O)/C(C)=N/O)cc1
InChIInChI=1S/C11H14N2O3/c1-3-16-10-6-4-9(5-7-10)11(13-15)8(2)12-14/h4-7,14-15H,3H2,1-2H3/b12-8+,13-11+
InChIKeyXTRYUVJQEQMJAF-UHSWXSRBSA-N
MW222.24 g/mol
LogP2.11
Rot. Bonds4

About (NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine

(NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine (PubChem CID 135481547) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
PubChem CID135481547
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
SMILESCCOc1ccc(C(=N/O)/C(C)=N/O)cc1
InChIInChI=1S/C11H14N2O3/c1-3-16-10-6-4-9(5-7-10)11(13-15)8(2)12-14/h4-7,14-15H,3H2,1-2H3/b12-8+,13-11+
InChIKeyXTRYUVJQEQMJAF-UHSWXSRBSA-N
XLogP2.11
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine (CID 135481547) is (NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine is CCOc1ccc(C(=N/O)/C(C)=N/O)cc1.
What is the InChIKey of (NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine?
The InChIKey is XTRYUVJQEQMJAF-UHSWXSRBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-16-10-6-4-9(5-7-10)11(13-15)8(2)12-14/h4-7,14-15H,3H2,1-2H3/b12-8+,13-11+.
What are the key properties of (NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine?
(NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine has a molecular weight of 222.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1Z)-1-(4-ethoxyphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135481547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).