[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate

C14H14N2O3 — CID 8543923

IUPAC[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1ccc[nH]1
InChIInChI=1S/C14H14N2O3/c1-10-5-2-3-6-11(10)16-13(17)9-19-14(18)12-7-4-8-15-12/h2-8,15H,9H2,1H3,(H,16,17)
InChIKeyVXABCJJWXRDRMB-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.12
Rot. Bonds4

About [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate

[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate (PubChem CID 8543923) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
PubChem CID8543923
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1ccc[nH]1
InChIInChI=1S/C14H14N2O3/c1-10-5-2-3-6-11(10)16-13(17)9-19-14(18)12-7-4-8-15-12/h2-8,15H,9H2,1H3,(H,16,17)
InChIKeyVXABCJJWXRDRMB-UHFFFAOYSA-N
XLogP2.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549433
[2-(2-methylsulfonylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 9310726
[2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544424
N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 47009571
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544216
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549755
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544807
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2378879
[2-(2-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538290
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1H-pyrrole-2-carboxylate
CID 8544696

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate (CID 8543923) is [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate is Cc1ccccc1NC(=O)COC(=O)c1ccc[nH]1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The InChIKey is VXABCJJWXRDRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-5-2-3-6-11(10)16-13(17)9-19-14(18)12-7-4-8-15-12/h2-8,15H,9H2,1H3,(H,16,17).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 8543923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).