ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate

C10H14N2O2 — CID 146496132

IUPACethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate
SMILESC=Cc1c(N)cn(C)c1C(=O)OCC
InChIInChI=1S/C10H14N2O2/c1-4-7-8(11)6-12(3)9(7)10(13)14-5-2/h4,6H,1,5,11H2,2-3H3
InChIKeyLYJCPWUEFSDZMF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.43
Rot. Bonds3

About ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate

ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate (PubChem CID 146496132) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate
PubChem CID146496132
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate
SMILESC=Cc1c(N)cn(C)c1C(=O)OCC
InChIInChI=1S/C10H14N2O2/c1-4-7-8(11)6-12(3)9(7)10(13)14-5-2/h4,6H,1,5,11H2,2-3H3
InChIKeyLYJCPWUEFSDZMF-UHFFFAOYSA-N
XLogP1.43
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate
CID 146607723
ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate
CID 54696576
ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate
CID 69086572
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
2-(5-ethoxycarbonyl-4-fluoro-1-methylpyrrol-3-yl)-2-oxoacetic acid
CID 121409825
ethyl 2-methyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrole-1-carboxylate
CID 146309317
ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
CID 123601486
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
ethyl 3-chloro-4-chlorosulfonyl-1-methylpyrrole-2-carboxylate;ethyl 3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxylate;methane
CID 158210903
ethyl 2-(4-ethenyl-1-methylpyrrol-2-yl)-2-oxoacetate
CID 101447733
3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid
CID 163846396
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
CID 22349687

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate (CID 146496132) is ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate is C=Cc1c(N)cn(C)c1C(=O)OCC.
What is the InChIKey of ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate?
The InChIKey is LYJCPWUEFSDZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-7-8(11)6-12(3)9(7)10(13)14-5-2/h4,6H,1,5,11H2,2-3H3.
What are the key properties of ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate?
ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 146496132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).