aziridin-2-ylmethanol

C3H7NO — CID 11286436

IUPACaziridin-2-ylmethanol
SMILESOCC1CN1
InChIInChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2
InChIKeyKRUMYKPXYLURIT-UHFFFAOYSA-N
MW73.10 g/mol
LogP-1.05
Rot. Bonds1

About aziridin-2-ylmethanol

aziridin-2-ylmethanol (PubChem CID 11286436) has the molecular formula C3H7NO and a molecular weight of 73.10 g/mol. Its IUPAC name is aziridin-2-ylmethanol.

Molecular Properties

Compound Nameaziridin-2-ylmethanol
PubChem CID11286436
Molecular FormulaC3H7NO
Molecular Weight73.10 g/mol
Exact Mass73.05
IUPAC Nameaziridin-2-ylmethanol
SMILESOCC1CN1
InChIInChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2
InChIKeyKRUMYKPXYLURIT-UHFFFAOYSA-N
XLogP-1.05
TPSA42.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.10
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aziridin-2-ylmethanol?
The IUPAC name of aziridin-2-ylmethanol (CID 11286436) is aziridin-2-ylmethanol.
What is the SMILES notation for aziridin-2-ylmethanol?
The canonical SMILES for aziridin-2-ylmethanol is OCC1CN1.
What is the InChIKey of aziridin-2-ylmethanol?
The InChIKey is KRUMYKPXYLURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2.
What are the key properties of aziridin-2-ylmethanol?
aziridin-2-ylmethanol has a molecular weight of 73.10 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-2-ylmethanol is sourced from PubChem (CID 11286436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).