methyl 2-(3-phenylpyrrol-1-yl)acetate

C13H13NO2 — CID 66914822

IUPACmethyl 2-(3-phenylpyrrol-1-yl)acetate
SMILESCOC(=O)Cn1ccc(-c2ccccc2)c1
InChIInChI=1S/C13H13NO2/c1-16-13(15)10-14-8-7-12(9-14)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyYRRJMGZBFQJYKJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.33
Rot. Bonds3

About methyl 2-(3-phenylpyrrol-1-yl)acetate

methyl 2-(3-phenylpyrrol-1-yl)acetate (PubChem CID 66914822) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-(3-phenylpyrrol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-phenylpyrrol-1-yl)acetate
PubChem CID66914822
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namemethyl 2-(3-phenylpyrrol-1-yl)acetate
SMILESCOC(=O)Cn1ccc(-c2ccccc2)c1
InChIInChI=1S/C13H13NO2/c1-16-13(15)10-14-8-7-12(9-14)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyYRRJMGZBFQJYKJ-UHFFFAOYSA-N
XLogP2.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenylpyrrol-1-yl)acetate?
The IUPAC name of methyl 2-(3-phenylpyrrol-1-yl)acetate (CID 66914822) is methyl 2-(3-phenylpyrrol-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-phenylpyrrol-1-yl)acetate?
The canonical SMILES for methyl 2-(3-phenylpyrrol-1-yl)acetate is COC(=O)Cn1ccc(-c2ccccc2)c1.
What is the InChIKey of methyl 2-(3-phenylpyrrol-1-yl)acetate?
The InChIKey is YRRJMGZBFQJYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-13(15)10-14-8-7-12(9-14)11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 2-(3-phenylpyrrol-1-yl)acetate?
methyl 2-(3-phenylpyrrol-1-yl)acetate has a molecular weight of 215.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenylpyrrol-1-yl)acetate is sourced from PubChem (CID 66914822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).