methoxy-(3-methyloxaziridin-2-yl)methanol

C4H9NO3 — CID 59078643

IUPACmethoxy-(3-methyloxaziridin-2-yl)methanol
SMILESCOC(O)N1OC1C
InChIInChI=1S/C4H9NO3/c1-3-5(8-3)4(6)7-2/h3-4,6H,1-2H3
InChIKeyHPVZJGKPRNKUJU-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.50
Rot. Bonds2

About methoxy-(3-methyloxaziridin-2-yl)methanol

methoxy-(3-methyloxaziridin-2-yl)methanol (PubChem CID 59078643) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is methoxy-(3-methyloxaziridin-2-yl)methanol.

Molecular Properties

Compound Namemethoxy-(3-methyloxaziridin-2-yl)methanol
PubChem CID59078643
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Namemethoxy-(3-methyloxaziridin-2-yl)methanol
SMILESCOC(O)N1OC1C
InChIInChI=1S/C4H9NO3/c1-3-5(8-3)4(6)7-2/h3-4,6H,1-2H3
InChIKeyHPVZJGKPRNKUJU-UHFFFAOYSA-N
XLogP-0.50
TPSA45.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-(3-methyloxaziridin-2-yl)methanol?
The IUPAC name of methoxy-(3-methyloxaziridin-2-yl)methanol (CID 59078643) is methoxy-(3-methyloxaziridin-2-yl)methanol.
What is the SMILES notation for methoxy-(3-methyloxaziridin-2-yl)methanol?
The canonical SMILES for methoxy-(3-methyloxaziridin-2-yl)methanol is COC(O)N1OC1C.
What is the InChIKey of methoxy-(3-methyloxaziridin-2-yl)methanol?
The InChIKey is HPVZJGKPRNKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-3-5(8-3)4(6)7-2/h3-4,6H,1-2H3.
What are the key properties of methoxy-(3-methyloxaziridin-2-yl)methanol?
methoxy-(3-methyloxaziridin-2-yl)methanol has a molecular weight of 119.12 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(3-methyloxaziridin-2-yl)methanol is sourced from PubChem (CID 59078643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).