methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate

C13H13Cl2NO3 — CID 113226241

IUPACmethyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H13Cl2NO3/c1-19-13(18)8-5-6-16(7-8)12(17)9-3-2-4-10(14)11(9)15/h2-4,8H,5-7H2,1H3
InChIKeyFCUUVIRXHMUSCR-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.63
Rot. Bonds2

About methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate

methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate (PubChem CID 113226241) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
PubChem CID113226241
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Namemethyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H13Cl2NO3/c1-19-13(18)8-5-6-16(7-8)12(17)9-3-2-4-10(14)11(9)15/h2-4,8H,5-7H2,1H3
InChIKeyFCUUVIRXHMUSCR-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate 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

methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
methyl 1-[2-(2,6-dichlorophenyl)acetyl]pyrrolidine-3-carboxylate
CID 112733652
(4-bromo-3-methylpiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 114683388
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
methyl 1-(2-nitrobenzoyl)pyrrolidine-3-carboxylate
CID 47340240
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
methyl 1-(2,3-dihydroxybenzoyl)piperidine-4-carboxylate
CID 114343728
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate (CID 113226241) is methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate?
The InChIKey is FCUUVIRXHMUSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-19-13(18)8-5-6-16(7-8)12(17)9-3-2-4-10(14)11(9)15/h2-4,8H,5-7H2,1H3.
What are the key properties of methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate?
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate has a molecular weight of 302.16 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 113226241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).