5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

C15H12FNO3 — CID 12915914

IUPAC5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccc(F)cc1)c1ccc2n1CCC2C(=O)O
InChIInChI=1S/C15H12FNO3/c16-10-3-1-9(2-4-10)14(18)13-6-5-12-11(15(19)20)7-8-17(12)13/h1-6,11H,7-8H2,(H,19,20)
InChIKeyQLPSJIRLKUYLSZ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.43
Rot. Bonds3

About 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (PubChem CID 12915914) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
PubChem CID12915914
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccc(F)cc1)c1ccc2n1CCC2C(=O)O
InChIInChI=1S/C15H12FNO3/c16-10-3-1-9(2-4-10)14(18)13-6-5-12-11(15(19)20)7-8-17(12)13/h1-6,11H,7-8H2,(H,19,20)
InChIKeyQLPSJIRLKUYLSZ-UHFFFAOYSA-N
XLogP2.43
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The IUPAC name of 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CID 12915914) is 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is O=C(c1ccc(F)cc1)c1ccc2n1CCC2C(=O)O.
What is the InChIKey of 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The InChIKey is QLPSJIRLKUYLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-10-3-1-9(2-4-10)14(18)13-6-5-12-11(15(19)20)7-8-17(12)13/h1-6,11H,7-8H2,(H,19,20).
What are the key properties of 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid has a molecular weight of 273.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 12915914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).