ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen

C10H17NO2 — CID 171658230

IUPACethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen
SMILESCCOC(=O)c1c(C)c[nH]c1CC.[H][H]
InChIInChI=1S/C10H15NO2.H2/c1-4-8-9(7(3)6-11-8)10(12)13-5-2;/h6,11H,4-5H2,1-3H3;1H
InChIKeyKJHAFQNVGVYLSJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.31
Rot. Bonds3

About ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen

ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen (PubChem CID 171658230) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen
PubChem CID171658230
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen
SMILESCCOC(=O)c1c(C)c[nH]c1CC.[H][H]
InChIInChI=1S/C10H15NO2.H2/c1-4-8-9(7(3)6-11-8)10(12)13-5-2;/h6,11H,4-5H2,1-3H3;1H
InChIKeyKJHAFQNVGVYLSJ-UHFFFAOYSA-N
XLogP2.31
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 2-ethyl-1H-pyrrole-3,4-dicarboxylate
CID 121015698
ethyl 2-[3-[2-(ethylamino)ethylamino]propyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 59250055
ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 134861602
ethyl 2-(4-bromophenyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 53254198
ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate
CID 134665731
ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 59375995
ethyl 3-amino-5-ethyl-1H-pyrazole-4-carboxylate
CID 15186424
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2,3,6-trimethylbenzoate
CID 13126297
ethyl 2,4,6-triethylbenzoate
CID 12702183
ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
CID 10965427
ethyl 1H-pyrazole-4-carboxylate;molecular hydrogen
CID 164534260

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen?
The IUPAC name of ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen (CID 171658230) is ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen.
What is the SMILES notation for ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen?
The canonical SMILES for ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen is CCOC(=O)c1c(C)c[nH]c1CC.[H][H].
What is the InChIKey of ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen?
The InChIKey is KJHAFQNVGVYLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.H2/c1-4-8-9(7(3)6-11-8)10(12)13-5-2;/h6,11H,4-5H2,1-3H3;1H.
What are the key properties of ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen?
ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen has a molecular weight of 183.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen is sourced from PubChem (CID 171658230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).