(3R)-3-(3-chlorophenoxy)pyrrolidine

C10H12ClNO — CID 26192050

IUPAC(3R)-3-(3-chlorophenoxy)pyrrolidine
SMILESClc1cccc(O[C@@H]2CCNC2)c1
InChIInChI=1S/C10H12ClNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2/t10-/m1/s1
InChIKeyNDJXJUSKVNUOOH-SNVBAGLBSA-N
MW197.67 g/mol
LogP2.08
Rot. Bonds2

About (3R)-3-(3-chlorophenoxy)pyrrolidine

(3R)-3-(3-chlorophenoxy)pyrrolidine (PubChem CID 26192050) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenoxy)pyrrolidine
PubChem CID26192050
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(3R)-3-(3-chlorophenoxy)pyrrolidine
SMILESClc1cccc(O[C@@H]2CCNC2)c1
InChIInChI=1S/C10H12ClNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2/t10-/m1/s1
InChIKeyNDJXJUSKVNUOOH-SNVBAGLBSA-N
XLogP2.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenoxy)pyrrolidine?
The IUPAC name of (3R)-3-(3-chlorophenoxy)pyrrolidine (CID 26192050) is (3R)-3-(3-chlorophenoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(3-chlorophenoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(3-chlorophenoxy)pyrrolidine is Clc1cccc(O[C@@H]2CCNC2)c1.
What is the InChIKey of (3R)-3-(3-chlorophenoxy)pyrrolidine?
The InChIKey is NDJXJUSKVNUOOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2/t10-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenoxy)pyrrolidine?
(3R)-3-(3-chlorophenoxy)pyrrolidine has a molecular weight of 197.67 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorophenoxy)pyrrolidine is sourced from PubChem (CID 26192050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).