ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate

C17H24N2O2 — CID 142097571

IUPACethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate
SMILESCCOC(=O)C1C=C(C)N(c2c(C)cc(C)cc2C)C1N
InChIInChI=1S/C17H24N2O2/c1-6-21-17(20)14-9-13(5)19(16(14)18)15-11(3)7-10(2)8-12(15)4/h7-9,14,16H,6,18H2,1-5H3
InChIKeyPOSFECDLJUOOGR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.80
Rot. Bonds3

About ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate

ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate (PubChem CID 142097571) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate
PubChem CID142097571
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate
SMILESCCOC(=O)C1C=C(C)N(c2c(C)cc(C)cc2C)C1N
InChIInChI=1S/C17H24N2O2/c1-6-21-17(20)14-9-13(5)19(16(14)18)15-11(3)7-10(2)8-12(15)4/h7-9,14,16H,6,18H2,1-5H3
InChIKeyPOSFECDLJUOOGR-UHFFFAOYSA-N
XLogP2.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate (CID 142097571) is ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate is CCOC(=O)C1C=C(C)N(c2c(C)cc(C)cc2C)C1N.
What is the InChIKey of ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate?
The InChIKey is POSFECDLJUOOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-21-17(20)14-9-13(5)19(16(14)18)15-11(3)7-10(2)8-12(15)4/h7-9,14,16H,6,18H2,1-5H3.
What are the key properties of ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate?
ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate is sourced from PubChem (CID 142097571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).