ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate

C10H15NO2 — CID 54026000

IUPACethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate
SMILESCCOC(=O)Cc1c(C)c[nH]c1C
InChIInChI=1S/C10H15NO2/c1-4-13-10(12)5-9-7(2)6-11-8(9)3/h6,11H,4-5H2,1-3H3
InChIKeyLCFHAQAPRWNYAX-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate

ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate (PubChem CID 54026000) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate
PubChem CID54026000
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate
SMILESCCOC(=O)Cc1c(C)c[nH]c1C
InChIInChI=1S/C10H15NO2/c1-4-13-10(12)5-9-7(2)6-11-8(9)3/h6,11H,4-5H2,1-3H3
InChIKeyLCFHAQAPRWNYAX-UHFFFAOYSA-N
XLogP1.74
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
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ethyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetate
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ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 135416561
ethyl 2-(2,4,6-trihydroxyphenyl)acetate
CID 96710196
ethyl 2-(3-chloro-2,4,6-trimethylphenyl)acetate
CID 82551011
ethyl 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103382
ethyl 2-[3-(chloromethyl)-2,6-dimethylphenyl]acetate
CID 171019746
ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoyloxidanium
CID 152788112
CID 158810794
CID 158810794
ethyl 2-(3-amino-2-chloro-6-methylphenyl)acetate
CID 171021815
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate (CID 54026000) is ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate is CCOC(=O)Cc1c(C)c[nH]c1C.
What is the InChIKey of ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate?
The InChIKey is LCFHAQAPRWNYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-13-10(12)5-9-7(2)6-11-8(9)3/h6,11H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate?
ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate has a molecular weight of 181.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate is sourced from PubChem (CID 54026000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).