5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid

C15H13NO3 — CID 13487074

IUPAC5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid
SMILESO=C(c1ccccc1)c1ccc2n1CC(C(=O)O)C2
InChIInChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-8-11(15(18)19)9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
InChIKeyYDQIKIHQRWPTDA-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.98
Rot. Bonds3

About 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid

5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid (PubChem CID 13487074) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid.

Molecular Properties

Compound Name5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid
PubChem CID13487074
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid
SMILESO=C(c1ccccc1)c1ccc2n1CC(C(=O)O)C2
InChIInChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-8-11(15(18)19)9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
InChIKeyYDQIKIHQRWPTDA-UHFFFAOYSA-N
XLogP1.98
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tolmetin
CID 5509
Ketorolac Tromethamine
CID 84003
Ketorolac
CID 3826
Zomepirac
CID 5733
Tolmetin Sodium
CID 23665411
(+)-Ketorolac
CID 181818
Tolmetin sodium dihydrate
CID 23677829
Ketorolac tromethamine, (R)-
CID 6604122
(-)-Ketorolac
CID 181817
Phenyl(2,3-dihydro-1H-pyrrolizin-5-yl)methanone
CID 71209516
4-Hydroxyketorolac
CID 3082630
5-acetyl-6-methyl-2,3-dihydro-1H-pyrrolizine
CID 6428845

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid?
The IUPAC name of 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid (CID 13487074) is 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid.
What is the SMILES notation for 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid?
The canonical SMILES for 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid is O=C(c1ccccc1)c1ccc2n1CC(C(=O)O)C2.
What is the InChIKey of 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid?
The InChIKey is YDQIKIHQRWPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-8-11(15(18)19)9-16(12)13/h1-7,11H,8-9H2,(H,18,19).
What are the key properties of 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid?
5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2,3-dihydro-1H-pyrrolizine-2-carboxylic acid is sourced from PubChem (CID 13487074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).