N-(2-methyl-2H-azirin-3-yl)hydroxylamine

C3H6N2O — CID 173482259

IUPACN-(2-methyl-2H-azirin-3-yl)hydroxylamine
SMILESCC1N=C1NO
InChIInChI=1S/C3H6N2O/c1-2-3(4-2)5-6/h2,6H,1H3,(H,4,5)
InChIKeyHWONYQCWIJDDKQ-UHFFFAOYSA-N
MW86.09 g/mol
LogP-0.23
Rot. Bonds

About N-(2-methyl-2H-azirin-3-yl)hydroxylamine

N-(2-methyl-2H-azirin-3-yl)hydroxylamine (PubChem CID 173482259) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is N-(2-methyl-2H-azirin-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-2H-azirin-3-yl)hydroxylamine
PubChem CID173482259
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC NameN-(2-methyl-2H-azirin-3-yl)hydroxylamine
SMILESCC1N=C1NO
InChIInChI=1S/C3H6N2O/c1-2-3(4-2)5-6/h2,6H,1H3,(H,4,5)
InChIKeyHWONYQCWIJDDKQ-UHFFFAOYSA-N
XLogP-0.23
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.23
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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Related Compounds

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CID 137267531
2-methyl-3-propan-2-yl-2H-azirine
CID 123721159
2,4-dimethyl-1,4-dihydroimidazol-5-one
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2,6-dimethyl-3,6-dihydro-2H-1,3,5-thiadiazin-4-amine
CID 12600795
methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate
CID 45082182
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2,3,5,6-tetramethyl-3,6-dihydro-1H-1,2,4-triazine
CID 129015725
(3-methyl-2,3-dihydro-1H-1,2,4-triazol-5-yl)hydrazine
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5-methyl-2-(methylaminomethyl)-1H-pyrimidine-4,6-dione
CID 79502466

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2H-azirin-3-yl)hydroxylamine?
The IUPAC name of N-(2-methyl-2H-azirin-3-yl)hydroxylamine (CID 173482259) is N-(2-methyl-2H-azirin-3-yl)hydroxylamine.
What is the SMILES notation for N-(2-methyl-2H-azirin-3-yl)hydroxylamine?
The canonical SMILES for N-(2-methyl-2H-azirin-3-yl)hydroxylamine is CC1N=C1NO.
What is the InChIKey of N-(2-methyl-2H-azirin-3-yl)hydroxylamine?
The InChIKey is HWONYQCWIJDDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O/c1-2-3(4-2)5-6/h2,6H,1H3,(H,4,5).
What are the key properties of N-(2-methyl-2H-azirin-3-yl)hydroxylamine?
N-(2-methyl-2H-azirin-3-yl)hydroxylamine has a molecular weight of 86.09 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2H-azirin-3-yl)hydroxylamine is sourced from PubChem (CID 173482259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).