2,3-dihydropyridine;hydroxylamine

C5H10N2O — CID 70387390

IUPAC2,3-dihydropyridine;hydroxylamine
SMILESC1=CCCN=C1.NO
InChIInChI=1S/C5H7N.H3NO/c1-2-4-6-5-3-1;1-2/h1-2,4H,3,5H2;2H,1H2
InChIKeyUJJXIOGTQDNVGE-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.35
Rot. Bonds

About 2,3-dihydropyridine;hydroxylamine

2,3-dihydropyridine;hydroxylamine (PubChem CID 70387390) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2,3-dihydropyridine;hydroxylamine.

Molecular Properties

Compound Name2,3-dihydropyridine;hydroxylamine
PubChem CID70387390
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2,3-dihydropyridine;hydroxylamine
SMILESC1=CCCN=C1.NO
InChIInChI=1S/C5H7N.H3NO/c1-2-4-6-5-3-1;1-2/h1-2,4H,3,5H2;2H,1H2
InChIKeyUJJXIOGTQDNVGE-UHFFFAOYSA-N
XLogP0.35
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine;hydroxylamine?
The IUPAC name of 2,3-dihydropyridine;hydroxylamine (CID 70387390) is 2,3-dihydropyridine;hydroxylamine.
What is the SMILES notation for 2,3-dihydropyridine;hydroxylamine?
The canonical SMILES for 2,3-dihydropyridine;hydroxylamine is C1=CCCN=C1.NO.
What is the InChIKey of 2,3-dihydropyridine;hydroxylamine?
The InChIKey is UJJXIOGTQDNVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.H3NO/c1-2-4-6-5-3-1;1-2/h1-2,4H,3,5H2;2H,1H2.
What are the key properties of 2,3-dihydropyridine;hydroxylamine?
2,3-dihydropyridine;hydroxylamine has a molecular weight of 114.15 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine;hydroxylamine is sourced from PubChem (CID 70387390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).