ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate

C15H18N2O2 — CID 86228816

IUPACethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(Nc2ccccc2)[nH]c1CC
InChIInChI=1S/C15H18N2O2/c1-3-13-12(15(18)19-4-2)10-14(17-13)16-11-8-6-5-7-9-11/h5-10,16-17H,3-4H2,1-2H3
InChIKeyFUGVOWRDQBPIGD-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.50
Rot. Bonds5

About ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate

ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate (PubChem CID 86228816) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate
PubChem CID86228816
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(Nc2ccccc2)[nH]c1CC
InChIInChI=1S/C15H18N2O2/c1-3-13-12(15(18)19-4-2)10-14(17-13)16-11-8-6-5-7-9-11/h5-10,16-17H,3-4H2,1-2H3
InChIKeyFUGVOWRDQBPIGD-UHFFFAOYSA-N
XLogP3.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 5-ethyl-1H-pyrrole-2,4-dicarboxylate
CID 121015696
ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate
CID 86257631
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl 2-(2-anilino-2-oxoethyl)benzoate
CID 23621943
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
ethyl 1-anilinoisoquinoline-4-carboxylate
CID 46358338
ethyl 4-anilino-2-chloro-6-methylpyrimidine-5-carboxylate
CID 89416676
ethyl 2-anilino-6-ethoxypyridine-3-carboxylate
CID 162752627
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate
CID 135084017
ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
CID 144539371

Frequently Asked Questions

What is the IUPAC name of ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate (CID 86228816) is ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(Nc2ccccc2)[nH]c1CC.
What is the InChIKey of ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate?
The InChIKey is FUGVOWRDQBPIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-13-12(15(18)19-4-2)10-14(17-13)16-11-8-6-5-7-9-11/h5-10,16-17H,3-4H2,1-2H3.
What are the key properties of ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate?
ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 86228816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).