ethyl 1,2,5-trimethylpyrrole-3-carboxylate

C10H15NO2 — CID 2322899

IUPACethyl 1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C10H15NO2/c1-5-13-10(12)9-6-7(2)11(4)8(9)3/h6H,5H2,1-4H3
InChIKeyQJXZSZQERBVUMG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.82
Rot. Bonds2

About ethyl 1,2,5-trimethylpyrrole-3-carboxylate

ethyl 1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 2322899) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID2322899
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C10H15NO2/c1-5-13-10(12)9-6-7(2)11(4)8(9)3/h6H,5H2,1-4H3
InChIKeyQJXZSZQERBVUMG-UHFFFAOYSA-N
XLogP1.82
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
ethyl 4-[[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]benzoate
CID 110653957
ethyl 1,2-dimethyl-5-(4-methylpiperazin-1-yl)pyrrole-3-carboxylate
CID 12669818
ethyl 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylate
CID 156700542
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672678
2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43799554
diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate
CID 167528912
ethane;ethyl 1,3,5-trimethylpyrrole-2-carboxylate
CID 155705747
1,2,5-trimethylpyrrole-3-carbonyl chloride
CID 45081430
ethyl 5-[2-(tert-butylamino)-2-oxoacetyl]-1,2-dimethylpyrrole-3-carboxylate
CID 139533651
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethylpyrrole-3-carboxylate (CID 2322899) is ethyl 1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is QJXZSZQERBVUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-13-10(12)9-6-7(2)11(4)8(9)3/h6H,5H2,1-4H3.
What are the key properties of ethyl 1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 2322899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).