methyl 2-(3-phenyl-2H-azirin-2-yl)acetate

C11H11NO2 — CID 10773995

IUPACmethyl 2-(3-phenyl-2H-azirin-2-yl)acetate
SMILESCOC(=O)CC1N=C1c1ccccc1
InChIInChI=1S/C11H11NO2/c1-14-10(13)7-9-11(12-9)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyYMSRJTWHDZESQJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.42
Rot. Bonds3

About methyl 2-(3-phenyl-2H-azirin-2-yl)acetate

methyl 2-(3-phenyl-2H-azirin-2-yl)acetate (PubChem CID 10773995) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 2-(3-phenyl-2H-azirin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-phenyl-2H-azirin-2-yl)acetate
PubChem CID10773995
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 2-(3-phenyl-2H-azirin-2-yl)acetate
SMILESCOC(=O)CC1N=C1c1ccccc1
InChIInChI=1S/C11H11NO2/c1-14-10(13)7-9-11(12-9)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyYMSRJTWHDZESQJ-UHFFFAOYSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenyl-2H-azirin-2-yl)acetate?
The IUPAC name of methyl 2-(3-phenyl-2H-azirin-2-yl)acetate (CID 10773995) is methyl 2-(3-phenyl-2H-azirin-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-phenyl-2H-azirin-2-yl)acetate?
The canonical SMILES for methyl 2-(3-phenyl-2H-azirin-2-yl)acetate is COC(=O)CC1N=C1c1ccccc1.
What is the InChIKey of methyl 2-(3-phenyl-2H-azirin-2-yl)acetate?
The InChIKey is YMSRJTWHDZESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-10(13)7-9-11(12-9)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of methyl 2-(3-phenyl-2H-azirin-2-yl)acetate?
methyl 2-(3-phenyl-2H-azirin-2-yl)acetate has a molecular weight of 189.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenyl-2H-azirin-2-yl)acetate is sourced from PubChem (CID 10773995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).