ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate

C16H26N2O3 — CID 758243

IUPACethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CCCN2CCOCC2)c1C
InChIInChI=1S/C16H26N2O3/c1-4-21-16(19)15-12-13(2)18(14(15)3)7-5-6-17-8-10-20-11-9-17/h12H,4-11H2,1-3H3
InChIKeyIADJAXKQTPPULV-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.00
Rot. Bonds6

About ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate

ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate (PubChem CID 758243) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate
PubChem CID758243
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nameethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CCCN2CCOCC2)c1C
InChIInChI=1S/C16H26N2O3/c1-4-21-16(19)15-12-13(2)18(14(15)3)7-5-6-17-8-10-20-11-9-17/h12H,4-11H2,1-3H3
InChIKeyIADJAXKQTPPULV-UHFFFAOYSA-N
XLogP2.00
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 137482
Ethyl 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylate
CID 2742171
1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid
CID 736491
(2-Amino-2-oxoethyl) 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2386871
[2-(4-Fluoroanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672444
1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
CID 3235924
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
CID 3245731
ethyl 1-benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 661090
Ethyl 4-Formyl-2,5-Dimethyl-1-Phenyl-1H-Pyrrole-3-Carboxylate
CID 2798484
methyl 1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 2742167
Ethyl 5-dimorpholin-4-ylphosphinothioyl-1,2,4-trimethylpyrrole-3-carboxylate
CID 2368801
ethyl 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 3237882

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate (CID 758243) is ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(CCCN2CCOCC2)c1C.
What is the InChIKey of ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate?
The InChIKey is IADJAXKQTPPULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-21-16(19)15-12-13(2)18(14(15)3)7-5-6-17-8-10-20-11-9-17/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate?
ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxylate is sourced from PubChem (CID 758243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).