methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate

C11H13NO3S — CID 531389

IUPACmethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C11H13NO3S/c1-15-11(14)8-4-2-6-12(8)10(13)9-5-3-7-16-9/h3,5,7-8H,2,4,6H2,1H3
InChIKeyYUXRIDLDZUUCFX-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.53
Rot. Bonds2

About methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 531389) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID531389
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Namemethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C11H13NO3S/c1-15-11(14)8-4-2-6-12(8)10(13)9-5-3-7-16-9/h3,5,7-8H,2,4,6H2,1H3
InChIKeyYUXRIDLDZUUCFX-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate (CID 531389) is methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is YUXRIDLDZUUCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-15-11(14)8-4-2-6-12(8)10(13)9-5-3-7-16-9/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 531389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).