ethyl 1-(methylamino)pyrrole-2-carboxylate

C8H12N2O2 — CID 90307328

IUPACethyl 1-(methylamino)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1NC
InChIInChI=1S/C8H12N2O2/c1-3-12-8(11)7-5-4-6-10(7)9-2/h4-6,9H,3H2,1-2H3
InChIKeyMYEBEPRLPHYAPT-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.84
Rot. Bonds3

About ethyl 1-(methylamino)pyrrole-2-carboxylate

ethyl 1-(methylamino)pyrrole-2-carboxylate (PubChem CID 90307328) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is ethyl 1-(methylamino)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)pyrrole-2-carboxylate
PubChem CID90307328
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameethyl 1-(methylamino)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1NC
InChIInChI=1S/C8H12N2O2/c1-3-12-8(11)7-5-4-6-10(7)9-2/h4-6,9H,3H2,1-2H3
InChIKeyMYEBEPRLPHYAPT-UHFFFAOYSA-N
XLogP0.84
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 1-formylpyrrole-2-carboxylate
CID 69374156
ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
CID 11436139
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
CID 105422054
ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate
CID 105421898
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
CID 105422074
5-(2-ethoxycarbonylpyrrol-1-yl)pentanoic acid
CID 83793284
ethyl 1-(1-phenylethyl)pyrrole-2-carboxylate
CID 75166606
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-(methylamino)pyrrole-2-carboxylate (CID 90307328) is ethyl 1-(methylamino)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)pyrrole-2-carboxylate is CCOC(=O)c1cccn1NC.
What is the InChIKey of ethyl 1-(methylamino)pyrrole-2-carboxylate?
The InChIKey is MYEBEPRLPHYAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-8(11)7-5-4-6-10(7)9-2/h4-6,9H,3H2,1-2H3.
What are the key properties of ethyl 1-(methylamino)pyrrole-2-carboxylate?
ethyl 1-(methylamino)pyrrole-2-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)pyrrole-2-carboxylate is sourced from PubChem (CID 90307328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).