methyl 2-(2-benzoylpyrrol-1-yl)acetate

C14H13NO3 — CID 6618880

IUPACmethyl 2-(2-benzoylpyrrol-1-yl)acetate
SMILESCOC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C14H13NO3/c1-18-13(16)10-15-9-5-8-12(15)14(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeySGOFLVYVFVOKJC-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.89
Rot. Bonds4

About methyl 2-(2-benzoylpyrrol-1-yl)acetate

methyl 2-(2-benzoylpyrrol-1-yl)acetate (PubChem CID 6618880) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-(2-benzoylpyrrol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-benzoylpyrrol-1-yl)acetate
PubChem CID6618880
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-(2-benzoylpyrrol-1-yl)acetate
SMILESCOC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C14H13NO3/c1-18-13(16)10-15-9-5-8-12(15)14(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeySGOFLVYVFVOKJC-UHFFFAOYSA-N
XLogP1.89
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-benzoylpyrrol-1-yl)acetate?
The IUPAC name of methyl 2-(2-benzoylpyrrol-1-yl)acetate (CID 6618880) is methyl 2-(2-benzoylpyrrol-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-benzoylpyrrol-1-yl)acetate?
The canonical SMILES for methyl 2-(2-benzoylpyrrol-1-yl)acetate is COC(=O)Cn1cccc1C(=O)c1ccccc1.
What is the InChIKey of methyl 2-(2-benzoylpyrrol-1-yl)acetate?
The InChIKey is SGOFLVYVFVOKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13(16)10-15-9-5-8-12(15)14(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of methyl 2-(2-benzoylpyrrol-1-yl)acetate?
methyl 2-(2-benzoylpyrrol-1-yl)acetate has a molecular weight of 243.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-benzoylpyrrol-1-yl)acetate is sourced from PubChem (CID 6618880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).