methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate

C14H20N2O4 — CID 705151

IUPACmethyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)CN2CCOCC2)c1C
InChIInChI=1S/C14H20N2O4/c1-9-12(14(18)19-3)10(2)15-13(9)11(17)8-16-4-6-20-7-5-16/h15H,4-8H2,1-3H3
InChIKeyOAJABGHXZSBZAA-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.93
Rot. Bonds4

About methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate (PubChem CID 705151) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate
PubChem CID705151
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)CN2CCOCC2)c1C
InChIInChI=1S/C14H20N2O4/c1-9-12(14(18)19-3)10(2)15-13(9)11(17)8-16-4-6-20-7-5-16/h15H,4-8H2,1-3H3
InChIKeyOAJABGHXZSBZAA-UHFFFAOYSA-N
XLogP0.93
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate (CID 705151) is methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)CN2CCOCC2)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate?
The InChIKey is OAJABGHXZSBZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-12(14(18)19-3)10(2)15-13(9)11(17)8-16-4-6-20-7-5-16/h15H,4-8H2,1-3H3.
What are the key properties of methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 705151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).