[2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone

C11H13NO3 — CID 156582114

IUPAC[2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCC1C(CO)N1C(=O)c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-7-9(6-13)12(7)11(15)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3
InChIKeyULGAKADVKSSKJR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.60
Rot. Bonds2

About [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone

[2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 156582114) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID156582114
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCC1C(CO)N1C(=O)c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-7-9(6-13)12(7)11(15)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3
InChIKeyULGAKADVKSSKJR-UHFFFAOYSA-N
XLogP0.60
TPSA60.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone (CID 156582114) is [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone is CC1C(CO)N1C(=O)c1ccccc1O.
What is the InChIKey of [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is ULGAKADVKSSKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-9(6-13)12(7)11(15)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3.
What are the key properties of [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone?
[2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 207.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methylaziridin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 156582114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).