methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride

C12H14Cl3NO2 — CID 155822756

IUPACmethyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCNC1.Cl
InChIInChI=1S/C12H13Cl2NO2.ClH/c1-17-11(16)12(4-5-15-7-12)8-2-3-9(13)10(14)6-8;/h2-3,6,15H,4-5,7H2,1H3;1H
InChIKeyUFLSCVAFSXHHBU-UHFFFAOYSA-N
MW310.61 g/mol
LogP2.82
Rot. Bonds2

About methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride

methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride (PubChem CID 155822756) has the molecular formula C12H14Cl3NO2 and a molecular weight of 310.61 g/mol. Its IUPAC name is methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
PubChem CID155822756
Molecular FormulaC12H14Cl3NO2
Molecular Weight310.61 g/mol
Exact Mass309.01
IUPAC Namemethyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCNC1.Cl
InChIInChI=1S/C12H13Cl2NO2.ClH/c1-17-11(16)12(4-5-15-7-12)8-2-3-9(13)10(14)6-8;/h2-3,6,15H,4-5,7H2,1H3;1H
InChIKeyUFLSCVAFSXHHBU-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.61
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride (CID 155822756) is methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride is COC(=O)C1(c2ccc(Cl)c(Cl)c2)CCNC1.Cl.
What is the InChIKey of methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is UFLSCVAFSXHHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2.ClH/c1-17-11(16)12(4-5-15-7-12)8-2-3-9(13)10(14)6-8;/h2-3,6,15H,4-5,7H2,1H3;1H.
What are the key properties of methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 310.61 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 155822756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).