ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate

C14H20N2O4 — CID 2496691

IUPACethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H20N2O4/c1-4-20-14(18)12-9(2)11(10(3)15-12)13(17)16-5-7-19-8-6-16/h15H,4-8H2,1-3H3
InChIKeySAWWFCLRGBJCNT-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.28
Rot. Bonds3

About ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate

ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate (PubChem CID 2496691) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate
PubChem CID2496691
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H20N2O4/c1-4-20-14(18)12-9(2)11(10(3)15-12)13(17)16-5-7-19-8-6-16/h15H,4-8H2,1-3H3
InChIKeySAWWFCLRGBJCNT-UHFFFAOYSA-N
XLogP1.28
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 223280
Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate
CID 16947
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate
CID 75526
5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CID 223279
1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-ethyl 4-methyl ester
CID 740841
Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
CID 137479
Ethyl 3,5-dimethyl-4-ethyl-1H-pyrrole-2-carboxylate
CID 137480
2-tert-butyl 4-ethyl 3-ethyl-5-formyl-1H-pyrrole-2,4-dicarboxylate
CID 9965947
4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 224709
2199-64-6
CID 137486
tert-Butyl 4-acetyl-3,5-dimethyl-2-pyrrolecarboxylate
CID 182360
Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate
CID 291761

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate (CID 2496691) is ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)N2CCOCC2)c1C.
What is the InChIKey of ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate?
The InChIKey is SAWWFCLRGBJCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-20-14(18)12-9(2)11(10(3)15-12)13(17)16-5-7-19-8-6-16/h15H,4-8H2,1-3H3.
What are the key properties of ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate?
ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 2496691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).