(NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine

C10H9NO2 — CID 87119506

IUPAC(NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2ccoc2c1
InChIInChI=1S/C10H9NO2/c1-7(11-12)9-3-2-8-4-5-13-10(8)6-9/h2-6,12H,1H3/b11-7+
InChIKeyKIVRIXOXGWFDIA-YRNVUSSQSA-N
MW175.19 g/mol
LogP2.63
Rot. Bonds1

About (NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine

(NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine (PubChem CID 87119506) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine
PubChem CID87119506
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2ccoc2c1
InChIInChI=1S/C10H9NO2/c1-7(11-12)9-3-2-8-4-5-13-10(8)6-9/h2-6,12H,1H3/b11-7+
InChIKeyKIVRIXOXGWFDIA-YRNVUSSQSA-N
XLogP2.63
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.63
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-(1-benzofuran-6-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine (CID 87119506) is (NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc2ccoc2c1.
What is the InChIKey of (NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine?
The InChIKey is KIVRIXOXGWFDIA-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7(11-12)9-3-2-8-4-5-13-10(8)6-9/h2-6,12H,1H3/b11-7+.
What are the key properties of (NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine has a molecular weight of 175.19 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 87119506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).