5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid

C13H11NO3S — CID 70611854

IUPAC5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid
SMILESO=C(O)C1=C2C=CC(C(=O)c3cccs3)N2CC1
InChIInChI=1S/C13H11NO3S/c15-12(11-2-1-7-18-11)10-4-3-9-8(13(16)17)5-6-14(9)10/h1-4,7,10H,5-6H2,(H,16,17)
InChIKeyJDYHWRCDYWFODR-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.91
Rot. Bonds3

About 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid

5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid (PubChem CID 70611854) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid
PubChem CID70611854
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid
SMILESO=C(O)C1=C2C=CC(C(=O)c3cccs3)N2CC1
InChIInChI=1S/C13H11NO3S/c15-12(11-2-1-7-18-11)10-4-3-9-8(13(16)17)5-6-14(9)10/h1-4,7,10H,5-6H2,(H,16,17)
InChIKeyJDYHWRCDYWFODR-UHFFFAOYSA-N
XLogP1.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid?
The IUPAC name of 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid (CID 70611854) is 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid is O=C(O)C1=C2C=CC(C(=O)c3cccs3)N2CC1.
What is the InChIKey of 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid?
The InChIKey is JDYHWRCDYWFODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-12(11-2-1-7-18-11)10-4-3-9-8(13(16)17)5-6-14(9)10/h1-4,7,10H,5-6H2,(H,16,17).
What are the key properties of 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid?
5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophene-2-carbonyl)-3,5-dihydro-2H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 70611854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).