6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper

C15H11Cl2CuNO3 — CID 70488217

IUPAC6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper
SMILESO=C(c1ccc(Cl)cc1)c1c(Cl)cc2n1CCC2C(=O)O.[Cu]
InChIInChI=1S/C15H11Cl2NO3.Cu/c16-9-3-1-8(2-4-9)14(19)13-11(17)7-12-10(15(20)21)5-6-18(12)13;/h1-4,7,10H,5-6H2,(H,20,21);
InChIKeyRJGVXGZXUGLNRV-UHFFFAOYSA-N
MW387.71 g/mol
LogP3.60
Rot. Bonds3

About 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper

6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper (PubChem CID 70488217) has the molecular formula C15H11Cl2CuNO3 and a molecular weight of 387.71 g/mol. Its IUPAC name is 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper.

Molecular Properties

Compound Name6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper
PubChem CID70488217
Molecular FormulaC15H11Cl2CuNO3
Molecular Weight387.71 g/mol
Exact Mass385.94
IUPAC Name6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper
SMILESO=C(c1ccc(Cl)cc1)c1c(Cl)cc2n1CCC2C(=O)O.[Cu]
InChIInChI=1S/C15H11Cl2NO3.Cu/c16-9-3-1-8(2-4-9)14(19)13-11(17)7-12-10(15(20)21)5-6-18(12)13;/h1-4,7,10H,5-6H2,(H,20,21);
InChIKeyRJGVXGZXUGLNRV-UHFFFAOYSA-N
XLogP3.60
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-(1H-pyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 20528190
pentyl 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 20528165
methyl 6-chloro-5-(3-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 20528140
5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 15180748
6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 20528164
5-[4-(4-methylphenyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 139746953
5-[4-(4-bromophenyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 139746967
(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 10131273
5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
CID 105470701
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
2-amino-2-(hydroxymethyl)propane-1,3-diol;(1S)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 73416230
5-(2,2-dimethylpropanoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487072

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper?
The IUPAC name of 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper (CID 70488217) is 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper.
What is the SMILES notation for 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper?
The canonical SMILES for 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper is O=C(c1ccc(Cl)cc1)c1c(Cl)cc2n1CCC2C(=O)O.[Cu].
What is the InChIKey of 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper?
The InChIKey is RJGVXGZXUGLNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3.Cu/c16-9-3-1-8(2-4-9)14(19)13-11(17)7-12-10(15(20)21)5-6-18(12)13;/h1-4,7,10H,5-6H2,(H,20,21);.
What are the key properties of 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper?
6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper has a molecular weight of 387.71 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper is sourced from PubChem (CID 70488217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).