ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate

C10H11F3N2O3 — CID 82881459

IUPACethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C(F)(F)F)c[nH]c1C
InChIInChI=1S/C10H11F3N2O3/c1-3-18-8(16)7-5(2)14-4-6(7)15-9(17)10(11,12)13/h4,14H,3H2,1-2H3,(H,15,17)
InChIKeyUWMAQAZMQRFBJX-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.00
Rot. Bonds3

About ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate

ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate (PubChem CID 82881459) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate
PubChem CID82881459
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Nameethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C(F)(F)F)c[nH]c1C
InChIInChI=1S/C10H11F3N2O3/c1-3-18-8(16)7-5(2)14-4-6(7)15-9(17)10(11,12)13/h4,14H,3H2,1-2H3,(H,15,17)
InChIKeyUWMAQAZMQRFBJX-UHFFFAOYSA-N
XLogP2.00
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-chlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877565
ethyl 2-methyl-4-(pent-4-ynoylamino)-1H-pyrrole-3-carboxylate
CID 114028551
ethyl 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877204
ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate
CID 82880897
ethyl 5-methyl-3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylate
CID 110461283
ethyl 2-methyl-4-(pyridazine-4-carbonylamino)-1H-pyrrole-3-carboxylate
CID 104669954
ethyl 4-[(2-bromobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82876245
ethyl 5-amino-3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylate
CID 2315464
ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate
CID 82880935
ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate
CID 82880240
ethyl 4-[(4-chloropyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877985
ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate
CID 104855956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate (CID 82881459) is ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(NC(=O)C(F)(F)F)c[nH]c1C.
What is the InChIKey of ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate?
The InChIKey is UWMAQAZMQRFBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-3-18-8(16)7-5(2)14-4-6(7)15-9(17)10(11,12)13/h4,14H,3H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate?
ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate has a molecular weight of 264.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 82881459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).