methyl 2-pyrrol-1-ylacetate

C7H9NO2 — CID 11217296

IUPACmethyl 2-pyrrol-1-ylacetate
SMILESCOC(=O)Cn1cccc1
InChIInChI=1S/C7H9NO2/c1-10-7(9)6-8-4-2-3-5-8/h2-5H,6H2,1H3
InChIKeySDLJOUCIMGIKOD-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.66
Rot. Bonds2

About methyl 2-pyrrol-1-ylacetate

methyl 2-pyrrol-1-ylacetate (PubChem CID 11217296) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is methyl 2-pyrrol-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-pyrrol-1-ylacetate
PubChem CID11217296
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Namemethyl 2-pyrrol-1-ylacetate
SMILESCOC(=O)Cn1cccc1
InChIInChI=1S/C7H9NO2/c1-10-7(9)6-8-4-2-3-5-8/h2-5H,6H2,1H3
InChIKeySDLJOUCIMGIKOD-UHFFFAOYSA-N
XLogP0.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-pyrrol-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrrol-1-ylacetate?
The IUPAC name of methyl 2-pyrrol-1-ylacetate (CID 11217296) is methyl 2-pyrrol-1-ylacetate.
What is the SMILES notation for methyl 2-pyrrol-1-ylacetate?
The canonical SMILES for methyl 2-pyrrol-1-ylacetate is COC(=O)Cn1cccc1.
What is the InChIKey of methyl 2-pyrrol-1-ylacetate?
The InChIKey is SDLJOUCIMGIKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-10-7(9)6-8-4-2-3-5-8/h2-5H,6H2,1H3.
What are the key properties of methyl 2-pyrrol-1-ylacetate?
methyl 2-pyrrol-1-ylacetate has a molecular weight of 139.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrrol-1-ylacetate is sourced from PubChem (CID 11217296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).