(NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine

C6H10N2O — CID 89426294

IUPAC(NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine
SMILESO/N=C/C1CC=NCC1
InChIInChI=1S/C6H10N2O/c9-8-5-6-1-3-7-4-2-6/h3,5-6,9H,1-2,4H2/b8-5+
InChIKeyDPYFOCDEIFMRQM-VMPITWQZSA-N
MW126.16 g/mol
LogP0.93
Rot. Bonds1

About (NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine

(NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine (PubChem CID 89426294) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine
PubChem CID89426294
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine
SMILESO/N=C/C1CC=NCC1
InChIInChI=1S/C6H10N2O/c9-8-5-6-1-3-7-4-2-6/h3,5-6,9H,1-2,4H2/b8-5+
InChIKeyDPYFOCDEIFMRQM-VMPITWQZSA-N
XLogP0.93
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.93
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-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine (CID 89426294) is (NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine is O/N=C/C1CC=NCC1.
What is the InChIKey of (NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine?
The InChIKey is DPYFOCDEIFMRQM-VMPITWQZSA-N. The full InChI is InChI=1S/C6H10N2O/c9-8-5-6-1-3-7-4-2-6/h3,5-6,9H,1-2,4H2/b8-5+.
What are the key properties of (NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine?
(NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine has a molecular weight of 126.16 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,3,4,5-tetrahydropyridin-4-ylmethylidene)hydroxylamine is sourced from PubChem (CID 89426294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).