(NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine

C10H8N2O2 — CID 11389855

IUPAC(NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(-c2cccnc2)o1
InChIInChI=1S/C10H8N2O2/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-7,13H/b12-7+
InChIKeyNJFOVAJRFITZIG-KPKJPENVSA-N
MW188.19 g/mol
LogP2.15
Rot. Bonds2

About (NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine

(NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine (PubChem CID 11389855) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine
PubChem CID11389855
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(-c2cccnc2)o1
InChIInChI=1S/C10H8N2O2/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-7,13H/b12-7+
InChIKeyNJFOVAJRFITZIG-KPKJPENVSA-N
XLogP2.15
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
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-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine (CID 11389855) is (NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine is O/N=C/c1ccc(-c2cccnc2)o1.
What is the InChIKey of (NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine?
The InChIKey is NJFOVAJRFITZIG-KPKJPENVSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-7,13H/b12-7+.
What are the key properties of (NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine has a molecular weight of 188.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 11389855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).