ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate

C10H15NO2 — CID 12894114

IUPACethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
SMILESCCOC(=O)Cn1c(C)ccc1C
InChIInChI=1S/C10H15NO2/c1-4-13-10(12)7-11-8(2)5-6-9(11)3/h5-6H,4,7H2,1-3H3
InChIKeyFMSGYPGAZRLNRM-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.67
Rot. Bonds3

About ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate

ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate (PubChem CID 12894114) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
PubChem CID12894114
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
SMILESCCOC(=O)Cn1c(C)ccc1C
InChIInChI=1S/C10H15NO2/c1-4-13-10(12)7-11-8(2)5-6-9(11)3/h5-6H,4,7H2,1-3H3
InChIKeyFMSGYPGAZRLNRM-UHFFFAOYSA-N
XLogP1.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate?
The IUPAC name of ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate (CID 12894114) is ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate is CCOC(=O)Cn1c(C)ccc1C.
What is the InChIKey of ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate?
The InChIKey is FMSGYPGAZRLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-13-10(12)7-11-8(2)5-6-9(11)3/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate?
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate has a molecular weight of 181.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate is sourced from PubChem (CID 12894114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).