methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride

C12H15Cl2NO2 — CID 138991359

IUPACmethyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2cccc(Cl)c2)CCNC1.Cl
InChIInChI=1S/C12H14ClNO2.ClH/c1-16-11(15)12(5-6-14-8-12)9-3-2-4-10(13)7-9;/h2-4,7,14H,5-6,8H2,1H3;1H
InChIKeyODQQSGGIAVXABM-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.17
Rot. Bonds2

About methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride

methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride (PubChem CID 138991359) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
PubChem CID138991359
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Namemethyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(c2cccc(Cl)c2)CCNC1.Cl
InChIInChI=1S/C12H14ClNO2.ClH/c1-16-11(15)12(5-6-14-8-12)9-3-2-4-10(13)7-9;/h2-4,7,14H,5-6,8H2,1H3;1H
InChIKeyODQQSGGIAVXABM-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride (CID 138991359) is methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride is COC(=O)C1(c2cccc(Cl)c2)CCNC1.Cl.
What is the InChIKey of methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is ODQQSGGIAVXABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2.ClH/c1-16-11(15)12(5-6-14-8-12)9-3-2-4-10(13)7-9;/h2-4,7,14H,5-6,8H2,1H3;1H.
What are the key properties of methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride?
methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 276.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 138991359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).