N-(2,3-dihydropyridin-2-yl)hydroxylamine

C5H8N2O — CID 57220344

IUPACN-(2,3-dihydropyridin-2-yl)hydroxylamine
SMILESONC1CC=CC=N1
InChIInChI=1S/C5H8N2O/c8-7-5-3-1-2-4-6-5/h1-2,4-5,7-8H,3H2
InChIKeyMROHRMSYUUGODA-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.32
Rot. Bonds1

About N-(2,3-dihydropyridin-2-yl)hydroxylamine

N-(2,3-dihydropyridin-2-yl)hydroxylamine (PubChem CID 57220344) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-2-yl)hydroxylamine
PubChem CID57220344
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-(2,3-dihydropyridin-2-yl)hydroxylamine
SMILESONC1CC=CC=N1
InChIInChI=1S/C5H8N2O/c8-7-5-3-1-2-4-6-5/h1-2,4-5,7-8H,3H2
InChIKeyMROHRMSYUUGODA-UHFFFAOYSA-N
XLogP0.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.32
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 N-(2,3-dihydropyridin-2-yl)hydroxylamine?
The IUPAC name of N-(2,3-dihydropyridin-2-yl)hydroxylamine (CID 57220344) is N-(2,3-dihydropyridin-2-yl)hydroxylamine.
What is the SMILES notation for N-(2,3-dihydropyridin-2-yl)hydroxylamine?
The canonical SMILES for N-(2,3-dihydropyridin-2-yl)hydroxylamine is ONC1CC=CC=N1.
What is the InChIKey of N-(2,3-dihydropyridin-2-yl)hydroxylamine?
The InChIKey is MROHRMSYUUGODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c8-7-5-3-1-2-4-6-5/h1-2,4-5,7-8H,3H2.
What are the key properties of N-(2,3-dihydropyridin-2-yl)hydroxylamine?
N-(2,3-dihydropyridin-2-yl)hydroxylamine has a molecular weight of 112.13 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-2-yl)hydroxylamine is sourced from PubChem (CID 57220344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).