2-(2,3-dichlorophenyl)-3-methylpyrrolidine

C11H13Cl2N — CID 3523837

IUPAC2-(2,3-dichlorophenyl)-3-methylpyrrolidine
SMILESCC1CCNC1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2N/c1-7-5-6-14-11(7)8-3-2-4-9(12)10(8)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyFCTVGMJOUKWMOA-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.66
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-3-methylpyrrolidine

2-(2,3-dichlorophenyl)-3-methylpyrrolidine (PubChem CID 3523837) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3-methylpyrrolidine
PubChem CID3523837
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name2-(2,3-dichlorophenyl)-3-methylpyrrolidine
SMILESCC1CCNC1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2N/c1-7-5-6-14-11(7)8-3-2-4-9(12)10(8)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyFCTVGMJOUKWMOA-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3-methylpyrrolidine?
The IUPAC name of 2-(2,3-dichlorophenyl)-3-methylpyrrolidine (CID 3523837) is 2-(2,3-dichlorophenyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3-methylpyrrolidine is CC1CCNC1c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3-methylpyrrolidine?
The InChIKey is FCTVGMJOUKWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-7-5-6-14-11(7)8-3-2-4-9(12)10(8)13/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-3-methylpyrrolidine?
2-(2,3-dichlorophenyl)-3-methylpyrrolidine has a molecular weight of 230.14 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-3-methylpyrrolidine is sourced from PubChem (CID 3523837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).