3,4-dihydro-2H-oxazin-3-amine

C4H8N2O — CID 18321639

IUPAC3,4-dihydro-2H-oxazin-3-amine
SMILESNC1CC=CON1
InChIInChI=1S/C4H8N2O/c5-4-2-1-3-7-6-4/h1,3-4,6H,2,5H2
InChIKeyIIZRCEQGEZJYHL-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.29
Rot. Bonds

About 3,4-dihydro-2H-oxazin-3-amine

3,4-dihydro-2H-oxazin-3-amine (PubChem CID 18321639) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3,4-dihydro-2H-oxazin-3-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-oxazin-3-amine
PubChem CID18321639
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3,4-dihydro-2H-oxazin-3-amine
SMILESNC1CC=CON1
InChIInChI=1S/C4H8N2O/c5-4-2-1-3-7-6-4/h1,3-4,6H,2,5H2
InChIKeyIIZRCEQGEZJYHL-UHFFFAOYSA-N
XLogP-0.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-oxazin-3-amine?
The IUPAC name of 3,4-dihydro-2H-oxazin-3-amine (CID 18321639) is 3,4-dihydro-2H-oxazin-3-amine.
What is the SMILES notation for 3,4-dihydro-2H-oxazin-3-amine?
The canonical SMILES for 3,4-dihydro-2H-oxazin-3-amine is NC1CC=CON1.
What is the InChIKey of 3,4-dihydro-2H-oxazin-3-amine?
The InChIKey is IIZRCEQGEZJYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c5-4-2-1-3-7-6-4/h1,3-4,6H,2,5H2.
What are the key properties of 3,4-dihydro-2H-oxazin-3-amine?
3,4-dihydro-2H-oxazin-3-amine has a molecular weight of 100.12 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-oxazin-3-amine is sourced from PubChem (CID 18321639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).