3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid

C15H12FNO4 — CID 1473419

IUPAC3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(-c2ccc(F)cc2)n2c1CCC2
InChIInChI=1S/C15H12FNO4/c16-9-5-3-8(4-6-9)13-12(15(20)21)11(14(18)19)10-2-1-7-17(10)13/h3-6H,1-2,7H2,(H,18,19)(H,20,21)
InChIKeyPOQRZIHNSSPOPV-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.64
Rot. Bonds3

About 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid

3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid (PubChem CID 1473419) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
PubChem CID1473419
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(-c2ccc(F)cc2)n2c1CCC2
InChIInChI=1S/C15H12FNO4/c16-9-5-3-8(4-6-9)13-12(15(20)21)11(14(18)19)10-2-1-7-17(10)13/h3-6H,1-2,7H2,(H,18,19)(H,20,21)
InChIKeyPOQRZIHNSSPOPV-UHFFFAOYSA-N
XLogP2.64
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CID 3312874
5-(4-methylphenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid
CID 1472063
Dimethyl 5-(4-fluorophenyl)-2-oxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1488429
dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 2904929
5-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylic acid
CID 1473420
1-Ethyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid
CID 3724042
dimethyl 5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 337612
dimethyl 5-(3-fluorophenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472043
dimethyl 5-(4-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1488423
dimethyl 5-phenyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 1473406
1-(2-methoxyethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CID 9549756
5-(4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylic acid
CID 1473412

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid (CID 1473419) is 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid is O=C(O)c1c(C(=O)O)c(-c2ccc(F)cc2)n2c1CCC2.
What is the InChIKey of 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
The InChIKey is POQRZIHNSSPOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-9-5-3-8(4-6-9)13-12(15(20)21)11(14(18)19)10-2-1-7-17(10)13/h3-6H,1-2,7H2,(H,18,19)(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid is sourced from PubChem (CID 1473419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).