(NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine

C7H9NO2 — CID 13205476

IUPAC(NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine
SMILESCCc1ccc(/C=N/O)o1
InChIInChI=1S/C7H9NO2/c1-2-6-3-4-7(10-6)5-8-9/h3-5,9H,2H2,1H3/b8-5+
InChIKeyHIMNXJAVIZINRN-VMPITWQZSA-N
MW139.15 g/mol
LogP1.65
Rot. Bonds2

About (NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine

(NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine (PubChem CID 13205476) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine
PubChem CID13205476
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine
SMILESCCc1ccc(/C=N/O)o1
InChIInChI=1S/C7H9NO2/c1-2-6-3-4-7(10-6)5-8-9/h3-5,9H,2H2,1H3/b8-5+
InChIKeyHIMNXJAVIZINRN-VMPITWQZSA-N
XLogP1.65
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.65
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-[(5-ethylfuran-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine (CID 13205476) is (NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine is CCc1ccc(/C=N/O)o1.
What is the InChIKey of (NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine?
The InChIKey is HIMNXJAVIZINRN-VMPITWQZSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-6-3-4-7(10-6)5-8-9/h3-5,9H,2H2,1H3/b8-5+.
What are the key properties of (NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine has a molecular weight of 139.15 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-ethylfuran-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 13205476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).