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

C13H13Cl2NO3 — CID 43410027

IUPACmethyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NO3/c1-19-13(18)10-6-3-7-16(10)12(17)8-4-2-5-9(14)11(8)15/h2,4-5,10H,3,6-7H2,1H3
InChIKeyHPYZKBGIEFVSCG-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.77
Rot. Bonds2

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

methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate (PubChem CID 43410027) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
PubChem CID43410027
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Namemethyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NO3/c1-19-13(18)10-6-3-7-16(10)12(17)8-4-2-5-9(14)11(8)15/h2,4-5,10H,3,6-7H2,1H3
InChIKeyHPYZKBGIEFVSCG-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
tert-butyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 80998275
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
methyl 1-[2-(propan-2-ylamino)benzoyl]pyrrolidine-2-carboxylate
CID 63107678
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 113226241
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate (CID 43410027) is methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is HPYZKBGIEFVSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-19-13(18)10-6-3-7-16(10)12(17)8-4-2-5-9(14)11(8)15/h2,4-5,10H,3,6-7H2,1H3.
What are the key properties of methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate?
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 302.16 g/mol, XLogP of 2.77, 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-2-carboxylate is sourced from PubChem (CID 43410027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).