5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

C20H15Cl2NO2 — CID 15180748

IUPAC5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(O)C1CCn2c1cc(-c1ccc(Cl)cc1)c2-c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2NO2/c21-14-5-1-12(2-6-14)17-11-18-16(20(24)25)9-10-23(18)19(17)13-3-7-15(22)8-4-13/h1-8,11,16H,9-10H2,(H,24,25)
InChIKeyAXQDVHZHDJYAQW-UHFFFAOYSA-N
MW372.25 g/mol
LogP5.70
Rot. Bonds3

About 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (PubChem CID 15180748) has the molecular formula C20H15Cl2NO2 and a molecular weight of 372.25 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
PubChem CID15180748
Molecular FormulaC20H15Cl2NO2
Molecular Weight372.25 g/mol
Exact Mass371.05
IUPAC Name5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(O)C1CCn2c1cc(-c1ccc(Cl)cc1)c2-c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2NO2/c21-14-5-1-12(2-6-14)17-11-18-16(20(24)25)9-10-23(18)19(17)13-3-7-15(22)8-4-13/h1-8,11,16H,9-10H2,(H,24,25)
InChIKeyAXQDVHZHDJYAQW-UHFFFAOYSA-N
XLogP5.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.25
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper
CID 70488217
5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
CID 105470701
6-chloro-5-(1H-pyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 20528190
5-[4-(4-methylphenyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 139746953
5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid
CID 15391089
2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 83966383
5-[4-(4-bromophenyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 139746967
2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid
CID 55009771
6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 20528164
(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 10131273
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
(2R,3S)-1-(4-chlorophenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96591785

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The IUPAC name of 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CID 15180748) is 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is O=C(O)C1CCn2c1cc(-c1ccc(Cl)cc1)c2-c1ccc(Cl)cc1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The InChIKey is AXQDVHZHDJYAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO2/c21-14-5-1-12(2-6-14)17-11-18-16(20(24)25)9-10-23(18)19(17)13-3-7-15(22)8-4-13/h1-8,11,16H,9-10H2,(H,24,25).
What are the key properties of 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid has a molecular weight of 372.25 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 15180748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).