1-(2-chlorophenyl)-2-methoxypyrrolidine

C11H14ClNO — CID 155142149

IUPAC1-(2-chlorophenyl)-2-methoxypyrrolidine
SMILESCOC1CCCN1c1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c1-14-11-7-4-8-13(11)10-6-3-2-5-9(10)12/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyVUMBAWBZLGYMRC-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.91
Rot. Bonds2

About 1-(2-chlorophenyl)-2-methoxypyrrolidine

1-(2-chlorophenyl)-2-methoxypyrrolidine (PubChem CID 155142149) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-methoxypyrrolidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-methoxypyrrolidine
PubChem CID155142149
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(2-chlorophenyl)-2-methoxypyrrolidine
SMILESCOC1CCCN1c1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c1-14-11-7-4-8-13(11)10-6-3-2-5-9(10)12/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyVUMBAWBZLGYMRC-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-methoxypyrrolidine?
The IUPAC name of 1-(2-chlorophenyl)-2-methoxypyrrolidine (CID 155142149) is 1-(2-chlorophenyl)-2-methoxypyrrolidine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-methoxypyrrolidine?
The canonical SMILES for 1-(2-chlorophenyl)-2-methoxypyrrolidine is COC1CCCN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-methoxypyrrolidine?
The InChIKey is VUMBAWBZLGYMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-11-7-4-8-13(11)10-6-3-2-5-9(10)12/h2-3,5-6,11H,4,7-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-methoxypyrrolidine?
1-(2-chlorophenyl)-2-methoxypyrrolidine has a molecular weight of 211.69 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-methoxypyrrolidine is sourced from PubChem (CID 155142149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).