methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate

C15H16N2O4S — CID 5185926

IUPACmethyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1cccc1C(=O)N1CCOCC1
InChIInChI=1S/C15H16N2O4S/c1-20-15(19)13-11(4-10-22-13)17-5-2-3-12(17)14(18)16-6-8-21-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyCKYYXLUKNBEVRT-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.80
Rot. Bonds3

About methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate

methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate (PubChem CID 5185926) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate
PubChem CID5185926
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1cccc1C(=O)N1CCOCC1
InChIInChI=1S/C15H16N2O4S/c1-20-15(19)13-11(4-10-22-13)17-5-2-3-12(17)14(18)16-6-8-21-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyCKYYXLUKNBEVRT-UHFFFAOYSA-N
XLogP1.80
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-(2-oxo-2-pyrrolidin-1-ylacetyl)pyrrol-1-yl]thiophene-2-carboxylate
CID 2767924
methyl 3-[2-[2-(4-bromoanilino)-2-oxoacetyl]pyrrol-1-yl]thiophene-2-carboxylate
CID 2767934
methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 18209328
methyl 3-carbazol-9-ylthiophene-2-carboxylate
CID 70982066
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470352
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 1131506
1-[10-(3-pyrrol-1-ylthiophene-2-carbonyl)-3-oxa-7,10-diazaspiro[5.6]dodecan-7-yl]ethanone
CID 138013127
3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride
CID 142792123
(4,7-dimethoxy-1-methylindol-2-yl)-morpholin-4-ylmethanone
CID 86207297
N'-(3-chlorothiophene-2-carbonyl)morpholine-4-carbohydrazide
CID 174484167

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate (CID 5185926) is methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate is COC(=O)c1sccc1-n1cccc1C(=O)N1CCOCC1.
What is the InChIKey of methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate?
The InChIKey is CKYYXLUKNBEVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-15(19)13-11(4-10-22-13)17-5-2-3-12(17)14(18)16-6-8-21-9-7-16/h2-5,10H,6-9H2,1H3.
What are the key properties of methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate?
methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(morpholine-4-carbonyl)pyrrol-1-yl]thiophene-2-carboxylate is sourced from PubChem (CID 5185926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).