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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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).