ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate

C11H17NO2 — CID 14657234

IUPACethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)cc1C(C)C
InChIInChI=1S/C11H17NO2/c1-5-14-11(13)10-9(7(2)3)6-8(4)12-10/h6-7,12H,5H2,1-4H3
InChIKeyCEEJUGHSISUWPS-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.62
Rot. Bonds3

About ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate

ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate (PubChem CID 14657234) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
PubChem CID14657234
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)cc1C(C)C
InChIInChI=1S/C11H17NO2/c1-5-14-11(13)10-9(7(2)3)6-8(4)12-10/h6-7,12H,5H2,1-4H3
InChIKeyCEEJUGHSISUWPS-UHFFFAOYSA-N
XLogP2.62
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]-1H-pyrrole-2-carboxylate
CID 11002759
ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
CID 10965427
ethyl 3,5-difluoro-1H-pyrrole-2-carboxylate
CID 141419828
ethyl 3-(4-fluoro-2-propan-2-ylanilino)-6-oxo-1H-pyridine-2-carboxylate
CID 164529801
ethyl 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133093415
2-ethyl-5-methyl-3-propan-2-yl-1H-pyrrole
CID 171107349
diethyl 2-sulfanylidene-1,3-dihydroimidazole-4,5-dicarboxylate
CID 4271345
ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate
CID 154635139
ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate
CID 19735183
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
CID 133103721
ethyl 6-oxo-4-propan-2-yl-1H-pyridazine-5-carboxylate
CID 54528927
diethyl 5-formyl-3-propan-2-yl-1H-pyrrole-2,4-dicarboxylate
CID 91392607

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate (CID 14657234) is ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)cc1C(C)C.
What is the InChIKey of ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate?
The InChIKey is CEEJUGHSISUWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-14-11(13)10-9(7(2)3)6-8(4)12-10/h6-7,12H,5H2,1-4H3.
What are the key properties of ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate?
ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 14657234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).