2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide

C4H10N2O3 — CID 87669342

IUPAC2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide
SMILES[O-][N+](O)(O)CCN1CC1
InChIInChI=1S/C4H10N2O3/c7-6(8,9)4-3-5-1-2-5/h7-8H,1-4H2
InChIKeySZTAFSIQJBLGKW-UHFFFAOYSA-N
MW134.14 g/mol
LogP-0.61
Rot. Bonds3

About 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide

2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide (PubChem CID 87669342) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide.

Molecular Properties

Compound Name2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide
PubChem CID87669342
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Name2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide
SMILES[O-][N+](O)(O)CCN1CC1
InChIInChI=1S/C4H10N2O3/c7-6(8,9)4-3-5-1-2-5/h7-8H,1-4H2
InChIKeySZTAFSIQJBLGKW-UHFFFAOYSA-N
XLogP-0.61
TPSA66.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(2-Nitroethyl)aziridine
CID 163810957
2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine
CID 163642670

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide?
The IUPAC name of 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide (CID 87669342) is 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide.
What is the SMILES notation for 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide?
The canonical SMILES for 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide is [O-][N+](O)(O)CCN1CC1.
What is the InChIKey of 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide?
The InChIKey is SZTAFSIQJBLGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c7-6(8,9)4-3-5-1-2-5/h7-8H,1-4H2.
What are the key properties of 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide?
2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide has a molecular weight of 134.14 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide is sourced from PubChem (CID 87669342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).