(1-methyl-5-oxo-2H-pyrrol-2-yl) acetate

C7H9NO3 — CID 14024675

IUPAC(1-methyl-5-oxo-2H-pyrrol-2-yl) acetate
SMILESCC(=O)OC1C=CC(=O)N1C
InChIInChI=1S/C7H9NO3/c1-5(9)11-7-4-3-6(10)8(7)2/h3-4,7H,1-2H3
InChIKeyNCSWRMFSQSWFCY-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.10
Rot. Bonds1

About (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate

(1-methyl-5-oxo-2H-pyrrol-2-yl) acetate (PubChem CID 14024675) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate.

Molecular Properties

Compound Name(1-methyl-5-oxo-2H-pyrrol-2-yl) acetate
PubChem CID14024675
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(1-methyl-5-oxo-2H-pyrrol-2-yl) acetate
SMILESCC(=O)OC1C=CC(=O)N1C
InChIInChI=1S/C7H9NO3/c1-5(9)11-7-4-3-6(10)8(7)2/h3-4,7H,1-2H3
InChIKeyNCSWRMFSQSWFCY-UHFFFAOYSA-N
XLogP-0.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate?
The IUPAC name of (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate (CID 14024675) is (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate.
What is the SMILES notation for (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate?
The canonical SMILES for (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate is CC(=O)OC1C=CC(=O)N1C.
What is the InChIKey of (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate?
The InChIKey is NCSWRMFSQSWFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(9)11-7-4-3-6(10)8(7)2/h3-4,7H,1-2H3.
What are the key properties of (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate?
(1-methyl-5-oxo-2H-pyrrol-2-yl) acetate has a molecular weight of 155.15 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-oxo-2H-pyrrol-2-yl) acetate is sourced from PubChem (CID 14024675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).