methyl 2-ethyl-1H-pyrrole-3-carboxylate

C8H11NO2 — CID 74889211

IUPACmethyl 2-ethyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]ccc1C(=O)OC
InChIInChI=1S/C8H11NO2/c1-3-7-6(4-5-9-7)8(10)11-2/h4-5,9H,3H2,1-2H3
InChIKeyFWZOVQKKSCXOHE-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-ethyl-1H-pyrrole-3-carboxylate

methyl 2-ethyl-1H-pyrrole-3-carboxylate (PubChem CID 74889211) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 2-ethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-1H-pyrrole-3-carboxylate
PubChem CID74889211
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 2-ethyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]ccc1C(=O)OC
InChIInChI=1S/C8H11NO2/c1-3-7-6(4-5-9-7)8(10)11-2/h4-5,9H,3H2,1-2H3
InChIKeyFWZOVQKKSCXOHE-UHFFFAOYSA-N
XLogP1.36
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-1H-pyrrole-3-carboxylate (CID 74889211) is methyl 2-ethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-1H-pyrrole-3-carboxylate is CCc1[nH]ccc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-1H-pyrrole-3-carboxylate?
The InChIKey is FWZOVQKKSCXOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-7-6(4-5-9-7)8(10)11-2/h4-5,9H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-1H-pyrrole-3-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 74889211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).