ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate

C17H20N2O3 — CID 3239963

IUPACethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccccc2)c1N1CCOCC1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(20)15-16(19-8-10-21-11-9-19)14(12-18-15)13-6-4-3-5-7-13/h3-7,12,18H,2,8-11H2,1H3
InChIKeyDGXRPHUJCIQPAT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.69
Rot. Bonds4

About ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate

ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate (PubChem CID 3239963) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate
PubChem CID3239963
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccccc2)c1N1CCOCC1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(20)15-16(19-8-10-21-11-9-19)14(12-18-15)13-6-4-3-5-7-13/h3-7,12,18H,2,8-11H2,1H3
InChIKeyDGXRPHUJCIQPAT-UHFFFAOYSA-N
XLogP2.69
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate (CID 3239963) is ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(-c2ccccc2)c1N1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate?
The InChIKey is DGXRPHUJCIQPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-17(20)15-16(19-8-10-21-11-9-19)14(12-18-15)13-6-4-3-5-7-13/h3-7,12,18H,2,8-11H2,1H3.
What are the key properties of ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate?
ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-yl-4-phenyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 3239963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).